REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2cnw_1_A DATA FIRST_RESID 4 DATA SEQUENCE QLSARLQEAI GRLRGRGRIT EEDLKATLRE IRRALMDADV NLEVARDFVE DATA SEQUENCE RVREEALGKQ VLESLTPAEV ILATVYEALK EALGGEARLP VLKDRNLWFL DATA SEQUENCE VGLQGSGKTT TAAKLALYYK GKGRRPLLVA ADTQRPAARE QLRLLGEKVG DATA SEQUENCE VPVLEVMDGE SPESIRRRVE EKARLEARDL ILVDTAGRLQ IDEPLMGELA DATA SEQUENCE RLKEVLGPDE VLLVLDAMTG QEALSVARAF DEKVGVTGLV LTKLDGDARG DATA SEQUENCE GAALSARHVT GKPIYFAGVS EKPEGLEPFY PERLAGRILG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.037 176.000 0.062 0.000 1.003 4 Q CA 0.000 55.832 55.803 0.049 0.000 1.022 4 Q CB 0.000 28.772 28.738 0.056 0.000 1.108 5 L N 3.085 124.357 121.223 0.082 0.000 2.499 5 L HA 0.073 4.412 4.340 -0.002 0.000 0.281 5 L C 0.689 177.578 176.870 0.032 0.000 1.234 5 L CA 0.529 55.410 54.840 0.069 0.000 0.839 5 L CB 0.636 42.744 42.059 0.081 0.000 1.104 5 L HN 0.298 nan 8.230 nan 0.000 0.500 6 S N 2.022 117.729 115.700 0.011 0.000 2.579 6 S HA 0.204 4.673 4.470 -0.002 0.000 0.275 6 S C 1.159 175.762 174.600 0.005 0.000 1.345 6 S CA -0.257 57.945 58.200 0.003 0.000 1.031 6 S CB 1.467 64.660 63.200 -0.011 0.000 0.892 6 S HN 0.740 nan 8.310 nan 0.000 0.529 7 A N 2.918 125.740 122.820 0.004 0.000 1.896 7 A HA -0.246 4.073 4.320 -0.002 0.000 0.220 7 A C 2.309 179.895 177.584 0.003 0.000 1.206 7 A CA 2.151 54.190 52.037 0.004 0.000 0.647 7 A CB -1.120 17.882 19.000 0.003 0.000 0.828 7 A HN 0.995 nan 8.150 nan 0.000 0.455 8 R N -0.449 120.051 120.500 -0.002 0.000 2.083 8 R HA -0.092 4.247 4.340 -0.002 0.000 0.237 8 R C 1.943 178.242 176.300 -0.002 0.000 1.137 8 R CA 1.910 58.008 56.100 -0.003 0.000 0.951 8 R CB -0.404 29.892 30.300 -0.007 0.000 0.851 8 R HN 0.527 nan 8.270 nan 0.000 0.434 9 L N 0.311 121.531 121.223 -0.005 0.000 2.395 9 L HA -0.041 4.297 4.340 -0.002 0.000 0.218 9 L C 2.495 179.371 176.870 0.009 0.000 1.130 9 L CA 0.566 55.403 54.840 -0.005 0.000 0.826 9 L CB -0.159 41.886 42.059 -0.023 0.000 0.941 9 L HN 0.261 nan 8.230 nan 0.000 0.451 10 Q N 0.366 120.173 119.800 0.013 0.000 2.167 10 Q HA -0.242 4.097 4.340 -0.002 0.000 0.202 10 Q C 2.003 178.012 176.000 0.015 0.000 0.970 10 Q CA 1.622 57.437 55.803 0.019 0.000 0.855 10 Q CB 0.166 28.915 28.738 0.019 0.000 0.911 10 Q HN 0.414 nan 8.270 nan 0.000 0.438 11 E N -0.431 119.776 120.200 0.010 0.000 2.028 11 E HA -0.092 4.257 4.350 -0.002 0.000 0.190 11 E C 1.742 178.348 176.600 0.009 0.000 0.984 11 E CA 1.460 57.865 56.400 0.008 0.000 0.800 11 E CB -0.549 29.154 29.700 0.006 0.000 0.758 11 E HN 0.314 nan 8.360 nan 0.000 0.448 12 A N 0.994 123.819 122.820 0.007 0.000 1.917 12 A HA -0.160 4.158 4.320 -0.002 0.000 0.219 12 A C 2.200 179.791 177.584 0.011 0.000 1.182 12 A CA 1.887 53.928 52.037 0.007 0.000 0.633 12 A CB -0.659 18.344 19.000 0.004 0.000 0.819 12 A HN 0.420 nan 8.150 nan 0.000 0.448 13 I N -0.699 119.880 120.570 0.015 0.000 2.703 13 I HA -0.036 4.132 4.170 -0.002 0.000 0.259 13 I C 2.635 178.764 176.117 0.020 0.000 1.151 13 I CA 1.184 62.497 61.300 0.021 0.000 1.470 13 I CB -2.001 36.019 38.000 0.033 0.000 1.112 13 I HN 0.328 nan 8.210 nan 0.000 0.437 14 G N 1.257 110.068 108.800 0.019 0.000 2.421 14 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.216 14 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.216 14 G C 1.833 176.740 174.900 0.012 0.000 1.171 14 G CA 0.393 45.503 45.100 0.016 0.000 0.775 14 G HN 0.270 nan 8.290 nan 0.000 0.543 15 R N -0.378 120.128 120.500 0.011 0.000 2.165 15 R HA -0.137 4.202 4.340 -0.002 0.000 0.254 15 R C 2.318 178.623 176.300 0.008 0.000 1.153 15 R CA 1.610 57.715 56.100 0.008 0.000 0.971 15 R CB -0.412 29.892 30.300 0.007 0.000 0.878 15 R HN 0.388 nan 8.270 nan 0.000 0.449 16 L N -0.185 121.044 121.223 0.010 0.000 2.554 16 L HA 0.112 4.451 4.340 -0.002 0.000 0.225 16 L C 0.467 177.343 176.870 0.010 0.000 1.104 16 L CA -0.118 54.728 54.840 0.010 0.000 0.866 16 L CB 0.085 42.150 42.059 0.010 0.000 1.047 16 L HN 0.000 nan 8.230 nan 0.000 0.468 17 R N 0.661 121.168 120.500 0.012 0.000 2.570 17 R HA 0.243 4.582 4.340 -0.002 0.000 0.277 17 R C 1.213 177.518 176.300 0.008 0.000 1.039 17 R CA 0.737 56.844 56.100 0.011 0.000 1.065 17 R CB 0.099 30.407 30.300 0.013 0.000 0.964 17 R HN 0.261 nan 8.270 nan 0.000 0.428 18 G N 1.987 110.791 108.800 0.008 0.000 2.184 18 G HA2 -0.318 3.641 3.960 -0.002 0.000 0.264 18 G HA3 -0.318 3.641 3.960 -0.002 0.000 0.264 18 G C 0.947 175.850 174.900 0.005 0.000 0.975 18 G CA 0.057 45.161 45.100 0.006 0.000 0.642 18 G HN 0.574 nan 8.290 nan 0.000 0.536 19 R N 0.935 121.439 120.500 0.005 0.000 2.313 19 R HA 0.294 4.633 4.340 -0.002 0.000 0.199 19 R C 1.995 178.298 176.300 0.004 0.000 0.958 19 R CA 1.265 57.367 56.100 0.004 0.000 1.047 19 R CB -0.460 29.843 30.300 0.005 0.000 0.955 19 R HN 1.454 nan 8.270 nan 0.000 0.481 20 G N 1.833 110.636 108.800 0.004 0.000 2.550 20 G HA2 -0.355 3.604 3.960 -0.002 0.000 0.277 20 G HA3 -0.355 3.604 3.960 -0.002 0.000 0.277 20 G C -0.404 174.498 174.900 0.004 0.000 1.190 20 G CA -0.149 44.953 45.100 0.004 0.000 0.971 20 G HN 0.318 nan 8.290 nan 0.000 0.559 21 R N 0.528 121.030 120.500 0.003 0.000 2.643 21 R HA 0.474 4.812 4.340 -0.002 0.000 0.270 21 R C 0.739 177.040 176.300 0.003 0.000 1.061 21 R CA 0.708 56.810 56.100 0.003 0.000 1.107 21 R CB 0.308 30.609 30.300 0.002 0.000 0.999 21 R HN 0.813 nan 8.270 nan 0.000 0.460 22 I N -2.568 118.004 120.570 0.002 0.000 2.910 22 I HA 0.480 4.649 4.170 -0.002 0.000 0.310 22 I C 0.409 176.526 176.117 0.001 0.000 1.043 22 I CA -1.040 60.261 61.300 0.002 0.000 1.053 22 I CB 2.151 40.153 38.000 0.003 0.000 1.242 22 I HN 0.561 nan 8.210 nan 0.000 0.452 23 T N -1.373 113.182 114.554 0.001 0.000 2.847 23 T HA 0.268 4.617 4.350 -0.002 0.000 0.279 23 T C 0.744 175.444 174.700 -0.001 0.000 0.984 23 T CA -0.224 61.876 62.100 -0.000 0.000 0.988 23 T CB 1.596 70.464 68.868 -0.000 0.000 1.040 23 T HN 0.889 nan 8.240 nan 0.000 0.528 24 E N -0.056 120.143 120.200 -0.002 0.000 2.153 24 E HA -0.193 4.156 4.350 -0.002 0.000 0.194 24 E C 1.932 178.530 176.600 -0.003 0.000 0.988 24 E CA 1.151 57.549 56.400 -0.003 0.000 0.811 24 E CB -0.008 29.690 29.700 -0.004 0.000 0.746 24 E HN 0.862 nan 8.360 nan 0.000 0.466 25 E N 0.226 120.425 120.200 -0.002 0.000 2.077 25 E HA -0.213 4.136 4.350 -0.002 0.000 0.193 25 E C 1.639 178.239 176.600 -0.000 0.000 0.989 25 E CA 1.357 57.757 56.400 -0.001 0.000 0.800 25 E CB 0.090 29.790 29.700 -0.001 0.000 0.746 25 E HN 0.249 nan 8.360 nan 0.000 0.452 26 D N 0.410 120.810 120.400 0.000 0.000 2.149 26 D HA -0.176 4.463 4.640 -0.002 0.000 0.198 26 D C 2.024 178.325 176.300 0.001 0.000 0.990 26 D CA 0.663 54.664 54.000 0.001 0.000 0.839 26 D CB -0.148 40.654 40.800 0.002 0.000 0.948 26 D HN 0.178 nan 8.370 nan 0.000 0.460 27 L N 1.435 122.658 121.223 -0.001 0.000 1.976 27 L HA -0.155 4.184 4.340 -0.002 0.000 0.209 27 L C 2.240 179.108 176.870 -0.003 0.000 1.071 27 L CA 1.883 56.721 54.840 -0.002 0.000 0.746 27 L CB -0.485 41.571 42.059 -0.005 0.000 0.890 27 L HN -0.166 nan 8.230 nan 0.000 0.432 28 K N -0.626 119.772 120.400 -0.003 0.000 2.063 28 K HA -0.203 4.115 4.320 -0.002 0.000 0.208 28 K C 1.979 178.579 176.600 -0.001 0.000 1.048 28 K CA 1.479 57.765 56.287 -0.003 0.000 0.928 28 K CB -0.328 32.170 32.500 -0.003 0.000 0.713 28 K HN 0.480 nan 8.250 nan 0.000 0.442 29 A N 0.467 123.287 122.820 0.000 0.000 1.908 29 A HA -0.165 4.154 4.320 -0.002 0.000 0.218 29 A C 2.182 179.768 177.584 0.003 0.000 1.181 29 A CA 2.277 54.315 52.037 0.001 0.000 0.627 29 A CB -1.062 17.939 19.000 0.002 0.000 0.818 29 A HN 0.474 nan 8.150 nan 0.000 0.445 30 T N 0.486 115.042 114.554 0.003 0.000 2.737 30 T HA -0.061 4.288 4.350 -0.002 0.000 0.265 30 T C 1.787 176.491 174.700 0.007 0.000 1.038 30 T CA 1.435 63.538 62.100 0.005 0.000 1.144 30 T CB -0.403 68.469 68.868 0.005 0.000 0.866 30 T HN 0.362 nan 8.240 nan 0.000 0.434 31 L N 0.413 121.639 121.223 0.005 0.000 2.191 31 L HA -0.032 4.307 4.340 -0.002 0.000 0.212 31 L C 2.819 179.697 176.870 0.014 0.000 1.103 31 L CA 1.044 55.889 54.840 0.009 0.000 0.769 31 L CB -0.439 41.619 42.059 -0.002 0.000 0.908 31 L HN 0.155 nan 8.230 nan 0.000 0.438 32 R N -0.123 120.382 120.500 0.008 0.000 2.090 32 R HA -0.125 4.214 4.340 -0.002 0.000 0.228 32 R C 2.183 178.487 176.300 0.007 0.000 1.110 32 R CA 0.942 57.046 56.100 0.007 0.000 0.973 32 R CB 0.153 30.455 30.300 0.003 0.000 0.869 32 R HN 0.235 nan 8.270 nan 0.000 0.440 33 E N 0.498 120.701 120.200 0.006 0.000 2.107 33 E HA -0.131 4.218 4.350 -0.002 0.000 0.191 33 E C 1.968 178.570 176.600 0.003 0.000 0.982 33 E CA 0.919 57.321 56.400 0.003 0.000 0.809 33 E CB -0.061 29.640 29.700 0.001 0.000 0.756 33 E HN 0.426 nan 8.360 nan 0.000 0.459 34 I N 0.579 121.156 120.570 0.012 0.000 2.179 34 I HA -0.249 3.920 4.170 -0.002 0.000 0.242 34 I C 2.747 178.879 176.117 0.024 0.000 1.088 34 I CA 0.984 62.297 61.300 0.020 0.000 1.357 34 I CB -0.299 37.733 38.000 0.054 0.000 1.051 34 I HN 0.007 nan 8.210 nan 0.000 0.409 35 R N 1.212 121.732 120.500 0.034 0.000 2.094 35 R HA -0.207 4.132 4.340 -0.002 0.000 0.239 35 R C 2.553 178.854 176.300 0.001 0.000 1.137 35 R CA 1.852 57.968 56.100 0.027 0.000 0.943 35 R CB -0.154 30.160 30.300 0.024 0.000 0.850 35 R HN 0.276 nan 8.270 nan 0.000 0.433 36 R N -0.377 120.122 120.500 -0.002 0.000 2.081 36 R HA -0.103 4.236 4.340 -0.002 0.000 0.235 36 R C 2.355 178.644 176.300 -0.018 0.000 1.131 36 R CA 1.385 57.479 56.100 -0.010 0.000 0.960 36 R CB -0.393 29.903 30.300 -0.007 0.000 0.856 36 R HN 0.287 nan 8.270 nan 0.000 0.436 37 A N 1.203 124.011 122.820 -0.021 0.000 1.940 37 A HA -0.143 4.175 4.320 -0.002 0.000 0.219 37 A C 2.149 179.703 177.584 -0.050 0.000 1.176 37 A CA 1.276 53.293 52.037 -0.033 0.000 0.631 37 A CB -0.500 18.478 19.000 -0.036 0.000 0.814 37 A HN 0.191 nan 8.150 nan 0.000 0.446 38 L N -2.020 119.167 121.223 -0.059 0.000 2.156 38 L HA -0.069 4.270 4.340 -0.002 0.000 0.208 38 L C 2.750 179.577 176.870 -0.072 0.000 1.095 38 L CA 1.263 56.047 54.840 -0.092 0.000 0.770 38 L CB -0.371 41.615 42.059 -0.121 0.000 0.914 38 L HN 0.404 nan 8.230 nan 0.000 0.439 39 M N -0.303 119.268 119.600 -0.048 0.000 2.175 39 M HA -0.202 4.277 4.480 -0.002 0.000 0.264 39 M C 1.645 177.925 176.300 -0.033 0.000 1.063 39 M CA 1.566 56.844 55.300 -0.038 0.000 1.119 39 M CB -0.088 32.497 32.600 -0.026 0.000 1.377 39 M HN 0.110 nan 8.290 nan 0.000 0.415 40 D N -0.056 120.325 120.400 -0.031 0.000 2.219 40 D HA -0.030 4.609 4.640 -0.002 0.000 0.205 40 D C 1.227 177.509 176.300 -0.030 0.000 0.970 40 D CA 1.168 55.153 54.000 -0.026 0.000 0.851 40 D CB 0.103 40.890 40.800 -0.023 0.000 0.943 40 D HN 0.379 nan 8.370 nan 0.000 0.488 41 A N 0.169 122.964 122.820 -0.042 0.000 2.370 41 A HA 0.071 4.390 4.320 -0.002 0.000 0.238 41 A C 0.167 177.724 177.584 -0.044 0.000 1.289 41 A CA 0.035 52.045 52.037 -0.044 0.000 0.885 41 A CB 0.162 19.125 19.000 -0.062 0.000 0.961 41 A HN 0.013 nan 8.150 nan 0.000 0.499 42 D N -1.323 119.053 120.400 -0.040 0.000 3.076 42 D HA -0.131 4.508 4.640 -0.002 0.000 0.218 42 D C -0.073 176.198 176.300 -0.047 0.000 1.156 42 D CA 0.989 54.967 54.000 -0.036 0.000 0.921 42 D CB -2.016 38.768 40.800 -0.027 0.000 1.113 42 D HN 0.275 nan 8.370 nan 0.000 0.418 43 V N 1.626 121.501 119.914 -0.065 0.000 2.572 43 V HA 0.004 4.123 4.120 -0.002 0.000 0.291 43 V C 1.318 177.374 176.094 -0.064 0.000 1.039 43 V CA -0.418 61.834 62.300 -0.080 0.000 1.055 43 V CB 1.268 33.018 31.823 -0.122 0.000 0.969 43 V HN 0.227 nan 8.190 nan 0.000 0.482 44 N N 3.906 122.571 118.700 -0.058 0.000 2.345 44 N HA -0.014 4.724 4.740 -0.002 0.000 0.243 44 N C 1.203 176.682 175.510 -0.053 0.000 1.246 44 N CA 0.068 53.091 53.050 -0.045 0.000 0.863 44 N CB 0.890 39.357 38.487 -0.034 0.000 1.096 44 N HN 0.754 nan 8.380 nan 0.000 0.446 45 L N 1.175 122.377 121.223 -0.035 0.000 2.156 45 L HA -0.014 4.325 4.340 -0.002 0.000 0.208 45 L C 1.615 178.464 176.870 -0.034 0.000 1.095 45 L CA 1.005 55.827 54.840 -0.030 0.000 0.770 45 L CB -0.333 41.715 42.059 -0.018 0.000 0.914 45 L HN 0.530 nan 8.230 nan 0.000 0.439 46 E N 0.973 121.152 120.200 -0.035 0.000 2.072 46 E HA -0.130 4.219 4.350 -0.002 0.000 0.191 46 E C 2.366 178.908 176.600 -0.097 0.000 0.985 46 E CA 1.352 57.729 56.400 -0.037 0.000 0.801 46 E CB -0.206 29.487 29.700 -0.011 0.000 0.750 46 E HN 0.383 nan 8.360 nan 0.000 0.452 47 V N 1.511 121.324 119.914 -0.168 0.000 2.343 47 V HA -0.263 3.855 4.120 -0.002 0.000 0.247 47 V C 2.326 178.302 176.094 -0.196 0.000 1.051 47 V CA 1.840 63.918 62.300 -0.369 0.000 1.036 47 V CB -0.712 30.910 31.823 -0.334 0.000 0.654 47 V HN 0.327 nan 8.190 nan 0.000 0.451 48 A N -0.261 122.502 122.820 -0.095 0.000 1.930 48 A HA -0.217 4.102 4.320 -0.002 0.000 0.217 48 A C 2.426 180.032 177.584 0.037 0.000 1.175 48 A CA 1.801 53.828 52.037 -0.017 0.000 0.627 48 A CB -0.544 18.436 19.000 -0.033 0.000 0.815 48 A HN 0.443 nan 8.150 nan 0.000 0.443 49 R N -0.289 120.210 120.500 -0.001 0.000 2.080 49 R HA -0.194 4.145 4.340 -0.002 0.000 0.236 49 R C 1.524 177.833 176.300 0.016 0.000 1.137 49 R CA 2.103 58.207 56.100 0.008 0.000 0.943 49 R CB -0.422 29.876 30.300 -0.003 0.000 0.846 49 R HN 0.460 nan 8.270 nan 0.000 0.431 50 D N -0.374 120.025 120.400 -0.002 0.000 2.144 50 D HA -0.168 4.471 4.640 -0.002 0.000 0.199 50 D C 1.495 177.823 176.300 0.047 0.000 0.984 50 D CA 0.977 54.992 54.000 0.025 0.000 0.834 50 D CB -0.290 40.535 40.800 0.043 0.000 0.955 50 D HN 0.191 nan 8.370 nan 0.000 0.465 51 F N 1.090 120.997 119.950 -0.072 0.000 2.134 51 F HA -0.203 4.323 4.527 -0.002 0.000 0.299 51 F C 2.144 177.931 175.800 -0.022 0.000 1.097 51 F CA 1.253 59.231 58.000 -0.038 0.000 1.264 51 F CB -0.156 38.809 39.000 -0.057 0.000 1.001 51 F HN -0.040 nan 8.300 nan 0.000 0.479 52 V N -2.077 117.849 119.914 0.020 0.000 2.871 52 V HA -0.093 4.026 4.120 -0.002 0.000 0.256 52 V C 2.024 178.052 176.094 -0.110 0.000 1.082 52 V CA 1.758 64.022 62.300 -0.060 0.000 1.105 52 V CB -0.733 31.114 31.823 0.041 0.000 0.713 52 V HN 0.275 nan 8.190 nan 0.000 0.473 53 E N 0.958 121.110 120.200 -0.080 0.000 2.152 53 E HA -0.098 4.251 4.350 -0.002 0.000 0.192 53 E C 2.369 178.906 176.600 -0.104 0.000 0.983 53 E CA 1.111 57.471 56.400 -0.067 0.000 0.818 53 E CB -0.376 29.307 29.700 -0.029 0.000 0.758 53 E HN 0.587 nan 8.360 nan 0.000 0.467 54 R N -0.168 120.232 120.500 -0.166 0.000 2.075 54 R HA -0.077 4.262 4.340 -0.002 0.000 0.232 54 R C 2.052 178.206 176.300 -0.242 0.000 1.126 54 R CA 1.419 57.401 56.100 -0.197 0.000 0.963 54 R CB -0.290 29.858 30.300 -0.253 0.000 0.858 54 R HN 0.146 nan 8.270 nan 0.000 0.435 55 V N 1.351 121.048 119.914 -0.361 0.000 2.332 55 V HA -0.264 3.855 4.120 -0.002 0.000 0.248 55 V C 2.651 178.660 176.094 -0.142 0.000 1.055 55 V CA 2.081 64.213 62.300 -0.281 0.000 1.038 55 V CB -0.705 30.936 31.823 -0.304 0.000 0.651 55 V HN 0.408 nan 8.190 nan 0.000 0.450 56 R N 0.114 120.545 120.500 -0.115 0.000 2.094 56 R HA -0.240 4.099 4.340 -0.002 0.000 0.239 56 R C 2.348 178.614 176.300 -0.057 0.000 1.137 56 R CA 2.330 58.390 56.100 -0.068 0.000 0.943 56 R CB -0.273 29.995 30.300 -0.053 0.000 0.850 56 R HN 0.633 nan 8.270 nan 0.000 0.433 57 E N 0.023 120.186 120.200 -0.062 0.000 2.038 57 E HA -0.222 4.126 4.350 -0.002 0.000 0.195 57 E C 2.068 178.642 176.600 -0.044 0.000 1.000 57 E CA 1.780 58.152 56.400 -0.047 0.000 0.803 57 E CB -0.048 29.625 29.700 -0.046 0.000 0.750 57 E HN 0.481 nan 8.360 nan 0.000 0.448 58 E N 0.298 120.464 120.200 -0.058 0.000 2.051 58 E HA -0.204 4.145 4.350 -0.002 0.000 0.192 58 E C 2.081 178.661 176.600 -0.033 0.000 0.991 58 E CA 0.908 57.281 56.400 -0.045 0.000 0.799 58 E CB -0.125 29.541 29.700 -0.058 0.000 0.748 58 E HN 0.244 nan 8.360 nan 0.000 0.449 59 A N 1.143 123.940 122.820 -0.037 0.000 1.877 59 A HA -0.174 4.145 4.320 -0.002 0.000 0.216 59 A C 2.186 179.760 177.584 -0.017 0.000 1.186 59 A CA 1.137 53.160 52.037 -0.023 0.000 0.620 59 A CB -0.673 18.312 19.000 -0.025 0.000 0.822 59 A HN 0.145 nan 8.150 nan 0.000 0.443 60 L N -0.790 120.420 121.223 -0.021 0.000 2.141 60 L HA -0.104 4.235 4.340 -0.002 0.000 0.209 60 L C 2.643 179.505 176.870 -0.013 0.000 1.094 60 L CA 0.996 55.827 54.840 -0.016 0.000 0.763 60 L CB -0.751 41.298 42.059 -0.017 0.000 0.908 60 L HN 0.502 nan 8.230 nan 0.000 0.437 61 G N -0.414 108.377 108.800 -0.016 0.000 2.679 61 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.212 61 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.212 61 G C 1.359 176.254 174.900 -0.009 0.000 1.137 61 G CA 0.194 45.286 45.100 -0.012 0.000 0.787 61 G HN 0.192 nan 8.290 nan 0.000 0.534 62 K N 0.899 121.294 120.400 -0.008 0.000 2.397 62 K HA 0.112 4.431 4.320 -0.002 0.000 0.202 62 K C 0.758 177.356 176.600 -0.003 0.000 1.022 62 K CA -0.193 56.092 56.287 -0.004 0.000 1.141 62 K CB 0.182 32.681 32.500 -0.002 0.000 0.857 62 K HN 0.315 nan 8.250 nan 0.000 0.514 63 Q N -0.635 119.162 119.800 -0.005 0.000 2.437 63 Q HA -0.205 4.134 4.340 -0.002 0.000 0.354 63 Q C 0.450 176.449 176.000 -0.002 0.000 1.402 63 Q CA 0.740 56.540 55.803 -0.004 0.000 1.020 63 Q CB -2.597 26.139 28.738 -0.003 0.000 1.220 63 Q HN 0.169 nan 8.270 nan 0.000 0.368 64 V N 1.266 121.178 119.914 -0.003 0.000 2.626 64 V HA -0.210 3.909 4.120 -0.002 0.000 0.252 64 V C 2.180 178.274 176.094 -0.001 0.000 1.067 64 V CA 1.904 64.203 62.300 -0.001 0.000 1.081 64 V CB -0.224 31.598 31.823 -0.003 0.000 0.686 64 V HN 0.630 nan 8.190 nan 0.000 0.468 65 L N -0.433 120.789 121.223 -0.002 0.000 2.141 65 L HA -0.121 4.218 4.340 -0.002 0.000 0.209 65 L C 2.317 179.186 176.870 -0.001 0.000 1.094 65 L CA 1.606 56.445 54.840 -0.002 0.000 0.763 65 L CB -0.451 41.606 42.059 -0.003 0.000 0.908 65 L HN 0.316 nan 8.230 nan 0.000 0.437 66 E N -0.688 119.511 120.200 -0.001 0.000 2.474 66 E HA 0.032 4.381 4.350 -0.002 0.000 0.194 66 E C 0.805 177.406 176.600 0.001 0.000 1.041 66 E CA -0.111 56.289 56.400 -0.000 0.000 0.874 66 E CB 0.374 30.074 29.700 -0.001 0.000 0.914 66 E HN 0.129 nan 8.360 nan 0.000 0.498 67 S N 0.064 115.765 115.700 0.002 0.000 2.564 67 S HA 0.103 4.572 4.470 -0.002 0.000 0.278 67 S C 0.937 175.539 174.600 0.003 0.000 1.333 67 S CA -0.340 57.862 58.200 0.003 0.000 1.048 67 S CB 0.439 63.641 63.200 0.004 0.000 0.900 67 S HN 0.235 nan 8.310 nan 0.000 0.505 68 L N 3.261 124.486 121.223 0.004 0.000 2.509 68 L HA 0.122 4.461 4.340 -0.002 0.000 0.222 68 L C 1.073 177.946 176.870 0.005 0.000 1.123 68 L CA 0.520 55.362 54.840 0.004 0.000 0.856 68 L CB -0.255 41.806 42.059 0.003 0.000 0.985 68 L HN 0.820 nan 8.230 nan 0.000 0.456 69 T N -4.152 110.406 114.554 0.007 0.000 3.514 69 T HA 0.271 4.620 4.350 -0.002 0.000 0.259 69 T C -1.927 172.780 174.700 0.011 0.000 1.466 69 T CA -1.344 60.762 62.100 0.009 0.000 1.562 69 T CB 0.721 69.595 68.868 0.009 0.000 0.924 69 T HN -0.107 nan 8.240 nan 0.000 0.678 70 P HA 0.079 nan 4.420 nan 0.000 0.222 70 P C 1.629 178.938 177.300 0.015 0.000 1.153 70 P CA 0.611 63.717 63.100 0.011 0.000 0.798 70 P CB 0.074 31.778 31.700 0.007 0.000 0.796 71 A N 0.754 123.584 122.820 0.017 0.000 1.929 71 A HA -0.153 4.166 4.320 -0.002 0.000 0.216 71 A C 2.235 179.839 177.584 0.033 0.000 1.176 71 A CA 1.305 53.356 52.037 0.023 0.000 0.628 71 A CB -1.164 17.848 19.000 0.021 0.000 0.816 71 A HN 0.135 nan 8.150 nan 0.000 0.444 72 E N -0.376 119.843 120.200 0.031 0.000 2.077 72 E HA -0.122 4.227 4.350 -0.002 0.000 0.193 72 E C 1.973 178.599 176.600 0.042 0.000 0.989 72 E CA 1.254 57.677 56.400 0.038 0.000 0.800 72 E CB -0.219 29.497 29.700 0.026 0.000 0.746 72 E HN 0.389 nan 8.360 nan 0.000 0.452 73 V N 1.280 121.212 119.914 0.031 0.000 2.295 73 V HA -0.269 3.850 4.120 -0.002 0.000 0.246 73 V C 2.222 178.337 176.094 0.035 0.000 1.049 73 V CA 1.593 63.910 62.300 0.028 0.000 1.024 73 V CB -0.357 31.476 31.823 0.016 0.000 0.648 73 V HN 0.263 nan 8.190 nan 0.000 0.447 74 I N -0.645 119.943 120.570 0.030 0.000 2.163 74 I HA -0.259 3.910 4.170 -0.002 0.000 0.243 74 I C 2.375 178.521 176.117 0.048 0.000 1.085 74 I CA 1.449 62.766 61.300 0.027 0.000 1.347 74 I CB -0.377 37.634 38.000 0.019 0.000 1.044 74 I HN 0.301 nan 8.210 nan 0.000 0.408 75 L N 1.021 122.286 121.223 0.070 0.000 2.056 75 L HA -0.107 4.232 4.340 -0.002 0.000 0.207 75 L C 2.540 179.534 176.870 0.207 0.000 1.078 75 L CA 2.067 56.976 54.840 0.114 0.000 0.749 75 L CB -0.912 41.230 42.059 0.139 0.000 0.901 75 L HN 0.193 nan 8.230 nan 0.000 0.433 76 A N -1.582 121.339 122.820 0.168 0.000 1.908 76 A HA -0.216 4.103 4.320 -0.002 0.000 0.218 76 A C 2.238 179.914 177.584 0.155 0.000 1.181 76 A CA 2.351 54.489 52.037 0.169 0.000 0.627 76 A CB -1.186 17.866 19.000 0.086 0.000 0.818 76 A HN 0.507 nan 8.150 nan 0.000 0.445 77 T N -0.398 114.214 114.554 0.095 0.000 2.867 77 T HA -0.059 4.290 4.350 -0.002 0.000 0.268 77 T C 1.845 176.589 174.700 0.073 0.000 1.057 77 T CA 1.355 63.491 62.100 0.060 0.000 1.136 77 T CB -0.314 68.561 68.868 0.013 0.000 0.874 77 T HN 0.191 nan 8.240 nan 0.000 0.466 78 V N 0.159 120.126 119.914 0.088 0.000 2.270 78 V HA -0.159 3.960 4.120 -0.002 0.000 0.245 78 V C 2.014 178.198 176.094 0.151 0.000 1.043 78 V CA 1.478 63.853 62.300 0.125 0.000 1.014 78 V CB -0.888 30.956 31.823 0.036 0.000 0.645 78 V HN 0.466 nan 8.190 nan 0.000 0.447 79 Y N 0.779 121.143 120.300 0.107 0.000 2.151 79 Y HA -0.267 4.281 4.550 -0.002 0.000 0.284 79 Y C 2.660 178.613 175.900 0.089 0.000 1.166 79 Y CA 2.103 60.252 58.100 0.081 0.000 1.163 79 Y CB -0.101 38.386 38.460 0.045 0.000 0.974 79 Y HN 0.341 nan 8.280 nan 0.000 0.511 80 E N -0.602 119.741 120.200 0.238 0.000 2.046 80 E HA -0.155 4.194 4.350 -0.002 0.000 0.190 80 E C 2.388 179.081 176.600 0.155 0.000 0.982 80 E CA 0.788 57.283 56.400 0.158 0.000 0.800 80 E CB -0.247 29.516 29.700 0.104 0.000 0.756 80 E HN 0.443 nan 8.360 nan 0.000 0.449 81 A N 1.063 123.982 122.820 0.164 0.000 1.930 81 A HA -0.141 4.178 4.320 -0.002 0.000 0.217 81 A C 2.117 179.949 177.584 0.413 0.000 1.175 81 A CA 0.885 53.030 52.037 0.180 0.000 0.627 81 A CB -0.377 18.586 19.000 -0.060 0.000 0.815 81 A HN 0.202 nan 8.150 nan 0.000 0.443 82 L N -0.004 121.497 121.223 0.462 0.000 2.072 82 L HA -0.051 4.288 4.340 -0.002 0.000 0.205 82 L C 2.245 179.210 176.870 0.157 0.000 1.079 82 L CA 2.518 57.503 54.840 0.241 0.000 0.752 82 L CB -0.672 41.383 42.059 -0.008 0.000 0.906 82 L HN 0.466 nan 8.230 nan 0.000 0.436 83 K N -0.425 120.071 120.400 0.160 0.000 2.020 83 K HA -0.306 4.013 4.320 -0.002 0.000 0.212 83 K C 2.132 178.808 176.600 0.125 0.000 1.050 83 K CA 2.042 58.407 56.287 0.129 0.000 0.929 83 K CB -0.234 32.339 32.500 0.121 0.000 0.714 83 K HN 0.339 nan 8.250 nan 0.000 0.443 84 E N 0.217 120.495 120.200 0.129 0.000 2.085 84 E HA -0.159 4.190 4.350 -0.002 0.000 0.194 84 E C 1.576 178.246 176.600 0.116 0.000 0.994 84 E CA 1.710 58.175 56.400 0.109 0.000 0.801 84 E CB -0.287 29.471 29.700 0.096 0.000 0.743 84 E HN 0.440 nan 8.360 nan 0.000 0.453 85 A N -0.268 122.649 122.820 0.161 0.000 2.119 85 A HA 0.027 4.346 4.320 -0.002 0.000 0.217 85 A C 1.846 179.498 177.584 0.114 0.000 1.153 85 A CA 0.651 52.786 52.037 0.162 0.000 0.692 85 A CB -0.257 18.904 19.000 0.268 0.000 0.799 85 A HN 0.319 nan 8.150 nan 0.000 0.458 86 L N -1.569 119.728 121.223 0.124 0.000 2.628 86 L HA 0.294 4.633 4.340 -0.002 0.000 0.229 86 L C 1.510 178.480 176.870 0.167 0.000 1.137 86 L CA 0.638 55.569 54.840 0.152 0.000 0.909 86 L CB 0.316 42.515 42.059 0.233 0.000 1.137 86 L HN 0.520 nan 8.230 nan 0.000 0.470 87 G N -1.685 107.178 108.800 0.104 0.000 2.229 87 G HA2 -0.113 3.846 3.960 -0.002 0.000 0.189 87 G HA3 -0.113 3.846 3.960 -0.002 0.000 0.189 87 G C 0.876 175.821 174.900 0.075 0.000 1.000 87 G CA -0.293 44.851 45.100 0.074 0.000 0.663 87 G HN 0.502 nan 8.290 nan 0.000 0.493 88 G N -0.205 108.647 108.800 0.087 0.000 5.452 88 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.310 88 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.310 88 G C 0.140 175.082 174.900 0.070 0.000 1.392 88 G CA 1.257 46.400 45.100 0.072 0.000 0.942 88 G HN 1.163 nan 8.290 nan 0.000 0.776 89 E N 0.985 121.225 120.200 0.067 0.000 2.281 89 E HA 0.676 5.024 4.350 -0.002 0.000 0.262 89 E C 0.502 177.149 176.600 0.079 0.000 0.933 89 E CA -0.047 56.396 56.400 0.072 0.000 0.809 89 E CB 1.550 31.287 29.700 0.061 0.000 1.242 89 E HN 1.120 nan 8.360 nan 0.000 0.418 90 A N 1.931 124.806 122.820 0.093 0.000 2.567 90 A HA 0.111 4.430 4.320 -0.002 0.000 0.240 90 A C 0.298 177.902 177.584 0.034 0.000 1.053 90 A CA 0.624 52.685 52.037 0.041 0.000 0.755 90 A CB -0.058 18.971 19.000 0.048 0.000 0.978 90 A HN 0.469 nan 8.150 nan 0.000 0.507 91 R N 2.987 123.497 120.500 0.017 0.000 2.502 91 R HA 0.547 4.886 4.340 -0.002 0.000 0.298 91 R C -1.543 174.797 176.300 0.066 0.000 1.018 91 R CA -0.477 55.653 56.100 0.049 0.000 0.899 91 R CB 0.779 31.115 30.300 0.059 0.000 1.181 91 R HN 0.748 nan 8.270 nan 0.000 0.444 92 L N 4.829 126.058 121.223 0.010 0.000 2.344 92 L HA 0.609 4.948 4.340 -0.002 0.000 0.272 92 L C -1.909 174.868 176.870 -0.154 0.000 1.035 92 L CA -2.398 52.367 54.840 -0.125 0.000 0.807 92 L CB 1.494 43.513 42.059 -0.066 0.000 1.237 92 L HN 0.487 nan 8.230 nan 0.000 0.442 93 P HA 0.056 nan 4.420 nan 0.000 0.269 93 P C -0.856 176.411 177.300 -0.055 0.000 1.209 93 P CA -0.282 62.504 63.100 -0.523 0.000 0.776 93 P CB 0.580 31.791 31.700 -0.815 0.000 0.876 94 V N 4.180 124.088 119.914 -0.010 0.000 2.368 94 V HA 0.136 4.255 4.120 -0.002 0.000 0.266 94 V C 0.424 176.576 176.094 0.096 0.000 1.045 94 V CA -0.225 62.112 62.300 0.063 0.000 0.899 94 V CB 0.278 32.132 31.823 0.052 0.000 1.006 94 V HN 0.365 nan 8.190 nan 0.000 0.470 95 L N 6.775 128.074 121.223 0.127 0.000 2.379 95 L HA 0.552 4.890 4.340 -0.002 0.000 0.269 95 L C 0.536 177.449 176.870 0.072 0.000 1.084 95 L CA 0.316 55.227 54.840 0.120 0.000 0.802 95 L CB 1.152 43.261 42.059 0.084 0.000 1.175 95 L HN 0.716 nan 8.230 nan 0.000 0.448 96 K N 0.099 120.532 120.400 0.056 0.000 2.158 96 K HA 0.430 4.749 4.320 -0.002 0.000 0.243 96 K C 0.102 176.707 176.600 0.010 0.000 1.079 96 K CA -0.671 55.636 56.287 0.034 0.000 0.920 96 K CB 0.333 32.856 32.500 0.037 0.000 1.400 96 K HN 0.306 nan 8.250 nan 0.000 0.561 97 D N -0.253 120.150 120.400 0.006 0.000 2.123 97 D HA -0.084 4.554 4.640 -0.002 0.000 0.200 97 D C 0.066 176.354 176.300 -0.020 0.000 0.976 97 D CA 1.015 55.011 54.000 -0.007 0.000 0.831 97 D CB 0.420 41.219 40.800 -0.002 0.000 0.974 97 D HN 0.271 nan 8.370 nan 0.000 0.469 98 R N 1.076 121.568 120.500 -0.013 0.000 2.387 98 R HA 0.315 4.654 4.340 -0.002 0.000 0.314 98 R C -1.678 174.610 176.300 -0.020 0.000 0.958 98 R CA -0.419 55.668 56.100 -0.023 0.000 0.846 98 R CB 0.534 30.828 30.300 -0.010 0.000 1.147 98 R HN 0.050 nan 8.270 nan 0.000 0.447 99 N N 5.193 123.852 118.700 -0.069 0.000 2.480 99 N HA 0.316 5.055 4.740 -0.002 0.000 0.289 99 N C -1.231 174.185 175.510 -0.157 0.000 1.073 99 N CA -0.476 52.517 53.050 -0.096 0.000 0.885 99 N CB 2.486 40.822 38.487 -0.251 0.000 1.421 99 N HN 0.513 nan 8.380 nan 0.000 0.503 100 L N 2.287 123.521 121.223 0.019 0.000 2.381 100 L HA 0.642 4.981 4.340 -0.002 0.000 0.274 100 L C -1.624 175.454 176.870 0.347 0.000 0.988 100 L CA -0.639 54.245 54.840 0.072 0.000 0.824 100 L CB 1.320 43.432 42.059 0.088 0.000 1.263 100 L HN 0.393 nan 8.230 nan 0.000 0.410 101 W N 3.786 125.124 121.300 0.063 0.000 2.819 101 W HA 0.473 5.133 4.660 -0.000 0.000 0.337 101 W C -0.706 176.000 176.519 0.312 0.000 1.077 101 W CA -1.266 56.135 57.345 0.093 0.000 1.226 101 W CB 1.361 30.854 29.460 0.055 0.000 1.419 101 W HN 0.133 nan 8.180 nan 0.000 0.502 102 F N 2.364 122.454 119.950 0.233 0.000 2.377 102 F HA 0.515 5.041 4.527 -0.001 0.000 0.328 102 F C 0.002 175.887 175.800 0.142 0.000 1.094 102 F CA -1.844 56.246 58.000 0.151 0.000 1.093 102 F CB 0.678 39.745 39.000 0.111 0.000 1.214 102 F HN -0.188 nan 8.300 nan 0.000 0.518 103 L N 3.214 124.596 121.223 0.265 0.000 2.305 103 L HA 0.656 4.995 4.340 -0.002 0.000 0.284 103 L C -0.270 176.663 176.870 0.104 0.000 1.013 103 L CA -0.587 54.348 54.840 0.159 0.000 0.819 103 L CB 1.485 43.612 42.059 0.113 0.000 1.227 103 L HN 0.413 nan 8.230 nan 0.000 0.417 104 V N 0.034 119.993 119.914 0.076 0.000 3.074 104 V HA 1.147 5.265 4.120 -0.002 0.000 0.314 104 V C 0.064 176.056 176.094 -0.171 0.000 1.117 104 V CA 0.013 62.345 62.300 0.052 0.000 1.014 104 V CB 1.513 33.460 31.823 0.207 0.000 1.057 104 V HN 0.952 nan 8.190 nan 0.000 0.438 105 G N 0.629 109.275 108.800 -0.257 0.000 2.339 105 G HA2 0.214 4.173 3.960 -0.002 0.000 0.275 105 G HA3 0.214 4.173 3.960 -0.002 0.000 0.275 105 G C -1.284 173.541 174.900 -0.125 0.000 1.323 105 G CA -0.598 44.160 45.100 -0.570 0.000 0.927 105 G HN 0.975 nan 8.290 nan 0.000 0.486 106 L N 0.203 121.359 121.223 -0.112 0.000 2.475 106 L HA 0.416 4.755 4.340 -0.002 0.000 0.253 106 L C 0.890 177.774 176.870 0.023 0.000 1.198 106 L CA -0.582 54.279 54.840 0.034 0.000 0.814 106 L CB 0.476 42.547 42.059 0.020 0.000 1.134 106 L HN 0.561 nan 8.230 nan 0.000 0.478 107 Q N 0.573 120.396 119.800 0.039 0.000 2.289 107 Q HA 0.263 4.602 4.340 -0.002 0.000 0.273 107 Q C 0.800 176.807 176.000 0.011 0.000 1.029 107 Q CA 1.052 56.871 55.803 0.027 0.000 0.896 107 Q CB 0.608 29.363 28.738 0.028 0.000 1.182 107 Q HN 0.787 nan 8.270 nan 0.000 0.385 108 G N 1.575 110.379 108.800 0.007 0.000 2.179 108 G HA2 -0.341 3.617 3.960 -0.002 0.000 0.257 108 G HA3 -0.341 3.617 3.960 -0.002 0.000 0.257 108 G C 0.841 175.739 174.900 -0.004 0.000 1.010 108 G CA 0.689 45.790 45.100 0.002 0.000 0.736 108 G HN 0.753 nan 8.290 nan 0.000 0.513 109 S N -1.192 114.500 115.700 -0.012 0.000 2.489 109 S HA 0.399 4.868 4.470 -0.002 0.000 0.228 109 S C 1.956 176.546 174.600 -0.016 0.000 0.995 109 S CA 1.326 59.513 58.200 -0.022 0.000 0.934 109 S CB 0.278 63.450 63.200 -0.047 0.000 0.771 109 S HN 2.314 nan 8.310 nan 0.000 0.522 110 G N 0.842 109.636 108.800 -0.010 0.000 2.148 110 G HA2 -0.145 3.814 3.960 -0.002 0.000 0.120 110 G HA3 -0.145 3.814 3.960 -0.002 0.000 0.120 110 G C 0.552 175.452 174.900 0.001 0.000 1.034 110 G CA 0.061 45.159 45.100 -0.003 0.000 0.710 110 G HN 0.433 nan 8.290 nan 0.000 0.495 111 K N -0.091 120.309 120.400 0.000 0.000 2.026 111 K HA -0.043 4.276 4.320 -0.002 0.000 0.208 111 K C 2.559 179.168 176.600 0.015 0.000 1.048 111 K CA 1.880 58.173 56.287 0.010 0.000 0.929 111 K CB -0.283 32.222 32.500 0.008 0.000 0.713 111 K HN 0.277 nan 8.250 nan 0.000 0.439 112 T N 0.856 115.415 114.554 0.008 0.000 2.708 112 T HA -0.136 4.213 4.350 -0.002 0.000 0.266 112 T C 1.979 176.683 174.700 0.008 0.000 1.037 112 T CA 1.920 64.025 62.100 0.007 0.000 1.146 112 T CB -0.431 68.439 68.868 0.003 0.000 0.865 112 T HN 0.291 nan 8.240 nan 0.000 0.435 113 T N 1.806 116.364 114.554 0.005 0.000 2.708 113 T HA -0.118 4.231 4.350 -0.002 0.000 0.266 113 T C 2.278 176.979 174.700 0.002 0.000 1.037 113 T CA 1.678 63.780 62.100 0.003 0.000 1.146 113 T CB -0.778 68.092 68.868 0.003 0.000 0.865 113 T HN 0.386 nan 8.240 nan 0.000 0.435 114 T N 1.948 116.504 114.554 0.004 0.000 2.788 114 T HA -0.022 4.327 4.350 -0.002 0.000 0.268 114 T C 2.388 177.094 174.700 0.009 0.000 1.044 114 T CA 1.068 63.167 62.100 -0.001 0.000 1.139 114 T CB -0.546 68.329 68.868 0.013 0.000 0.867 114 T HN 0.446 nan 8.240 nan 0.000 0.454 115 A N 1.597 124.433 122.820 0.028 0.000 1.883 115 A HA 0.068 4.386 4.320 -0.002 0.000 0.217 115 A C 2.670 180.269 177.584 0.024 0.000 1.186 115 A CA 1.965 54.027 52.037 0.041 0.000 0.624 115 A CB -1.193 17.830 19.000 0.037 0.000 0.822 115 A HN 0.517 nan 8.150 nan 0.000 0.444 116 A N -0.351 122.477 122.820 0.012 0.000 1.933 116 A HA -0.164 4.155 4.320 -0.002 0.000 0.218 116 A C 2.105 179.693 177.584 0.006 0.000 1.175 116 A CA 1.810 53.852 52.037 0.008 0.000 0.628 116 A CB -0.441 18.561 19.000 0.004 0.000 0.814 116 A HN 0.565 nan 8.150 nan 0.000 0.444 117 K N -0.384 120.010 120.400 -0.009 0.000 2.032 117 K HA -0.082 4.237 4.320 -0.002 0.000 0.209 117 K C 1.876 178.454 176.600 -0.037 0.000 1.048 117 K CA 1.479 57.747 56.287 -0.032 0.000 0.927 117 K CB -0.421 32.038 32.500 -0.067 0.000 0.712 117 K HN 0.473 nan 8.250 nan 0.000 0.441 118 L N 0.504 121.707 121.223 -0.034 0.000 2.056 118 L HA -0.181 4.158 4.340 -0.002 0.000 0.207 118 L C 2.648 179.629 176.870 0.185 0.000 1.078 118 L CA 1.058 55.931 54.840 0.056 0.000 0.749 118 L CB -0.649 41.486 42.059 0.126 0.000 0.901 118 L HN 0.215 nan 8.230 nan 0.000 0.433 119 A N 0.234 123.108 122.820 0.089 0.000 1.865 119 A HA -0.270 4.049 4.320 -0.002 0.000 0.217 119 A C 2.227 179.852 177.584 0.068 0.000 1.191 119 A CA 2.055 54.129 52.037 0.062 0.000 0.623 119 A CB -0.861 18.150 19.000 0.018 0.000 0.826 119 A HN 0.331 nan 8.150 nan 0.000 0.444 120 L N -1.763 119.489 121.223 0.048 0.000 2.046 120 L HA -0.161 4.178 4.340 -0.002 0.000 0.208 120 L C 2.334 179.220 176.870 0.027 0.000 1.077 120 L CA 2.465 57.322 54.840 0.029 0.000 0.747 120 L CB -0.847 41.224 42.059 0.021 0.000 0.896 120 L HN 0.529 nan 8.230 nan 0.000 0.432 121 Y N -1.145 119.087 120.300 -0.113 0.000 2.128 121 Y HA -0.321 4.227 4.550 -0.003 0.000 0.284 121 Y C 2.108 177.846 175.900 -0.271 0.000 1.154 121 Y CA 2.141 60.103 58.100 -0.230 0.000 1.149 121 Y CB -0.431 37.793 38.460 -0.394 0.000 0.976 121 Y HN 0.282 nan 8.280 nan 0.000 0.505 122 Y N 0.083 120.386 120.300 0.005 0.000 2.420 122 Y HA -0.028 4.520 4.550 -0.003 0.000 0.292 122 Y C 2.500 178.334 175.900 -0.110 0.000 1.119 122 Y CA 1.166 59.218 58.100 -0.081 0.000 1.229 122 Y CB -0.403 38.039 38.460 -0.029 0.000 1.026 122 Y HN 0.024 nan 8.280 nan 0.000 0.554 123 K N 0.171 120.596 120.400 0.041 0.000 2.044 123 K HA -0.180 4.139 4.320 -0.002 0.000 0.210 123 K C 2.283 178.852 176.600 -0.051 0.000 1.049 123 K CA 1.554 57.837 56.287 -0.007 0.000 0.927 123 K CB -0.686 31.809 32.500 -0.009 0.000 0.713 123 K HN 0.418 nan 8.250 nan 0.000 0.443 124 G N 0.497 109.234 108.800 -0.105 0.000 2.535 124 G HA2 -0.196 3.762 3.960 -0.002 0.000 0.218 124 G HA3 -0.196 3.762 3.960 -0.002 0.000 0.218 124 G C 0.920 175.729 174.900 -0.152 0.000 1.122 124 G CA 0.572 45.592 45.100 -0.133 0.000 0.769 124 G HN 0.318 nan 8.290 nan 0.000 0.549 125 K N -0.511 119.792 120.400 -0.161 0.000 2.440 125 K HA 0.366 4.685 4.320 -0.002 0.000 0.206 125 K C 1.395 177.977 176.600 -0.031 0.000 1.025 125 K CA 0.315 56.532 56.287 -0.116 0.000 1.135 125 K CB 0.719 33.121 32.500 -0.164 0.000 0.856 125 K HN 0.207 nan 8.250 nan 0.000 0.502 126 G N 1.280 110.064 108.800 -0.026 0.000 2.195 126 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.246 126 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.246 126 G C 0.124 175.022 174.900 -0.004 0.000 0.984 126 G CA -0.231 44.862 45.100 -0.012 0.000 0.633 126 G HN 0.179 nan 8.290 nan 0.000 0.525 127 R N 0.436 120.944 120.500 0.014 0.000 2.738 127 R HA 0.645 4.984 4.340 -0.002 0.000 0.268 127 R C 0.816 177.104 176.300 -0.021 0.000 1.062 127 R CA 0.059 56.157 56.100 -0.003 0.000 1.158 127 R CB 0.193 30.507 30.300 0.022 0.000 1.046 127 R HN 0.357 nan 8.270 nan 0.000 0.493 128 R N 3.018 123.490 120.500 -0.046 0.000 2.477 128 R HA 0.306 4.645 4.340 -0.002 0.000 0.285 128 R C -2.288 173.974 176.300 -0.064 0.000 1.415 128 R CA -1.753 54.321 56.100 -0.044 0.000 1.446 128 R CB 1.305 31.583 30.300 -0.038 0.000 1.110 128 R HN 0.428 nan 8.270 nan 0.000 0.590 129 P HA 0.051 nan 4.420 nan 0.000 0.272 129 P C -1.018 176.242 177.300 -0.068 0.000 1.223 129 P CA -0.537 62.509 63.100 -0.090 0.000 0.784 129 P CB 0.721 32.380 31.700 -0.068 0.000 0.923 130 L N 2.974 124.151 121.223 -0.078 0.000 2.356 130 L HA 0.434 4.773 4.340 -0.002 0.000 0.277 130 L C -1.305 175.539 176.870 -0.044 0.000 0.996 130 L CA -0.502 54.308 54.840 -0.050 0.000 0.822 130 L CB 0.934 42.967 42.059 -0.044 0.000 1.256 130 L HN 0.179 nan 8.230 nan 0.000 0.413 131 L N 5.464 126.670 121.223 -0.027 0.000 2.326 131 L HA 0.589 4.928 4.340 -0.002 0.000 0.278 131 L C -0.662 176.200 176.870 -0.012 0.000 1.092 131 L CA -0.673 54.157 54.840 -0.016 0.000 0.810 131 L CB 1.634 43.687 42.059 -0.010 0.000 1.153 131 L HN 0.360 nan 8.230 nan 0.000 0.439 132 V N 2.835 122.745 119.914 -0.008 0.000 2.376 132 V HA 0.400 4.518 4.120 -0.002 0.000 0.287 132 V C 0.258 176.340 176.094 -0.020 0.000 1.015 132 V CA -0.700 61.593 62.300 -0.012 0.000 0.834 132 V CB 1.551 33.369 31.823 -0.009 0.000 1.001 132 V HN 0.829 nan 8.190 nan 0.000 0.428 133 A N 3.926 126.734 122.820 -0.019 0.000 2.671 133 A HA 0.641 4.960 4.320 -0.002 0.000 0.306 133 A C 1.089 178.654 177.584 -0.031 0.000 1.473 133 A CA 0.357 52.381 52.037 -0.022 0.000 1.155 133 A CB 0.206 19.197 19.000 -0.015 0.000 1.123 133 A HN 1.252 nan 8.150 nan 0.000 0.545 134 A N 2.138 124.929 122.820 -0.048 0.000 2.423 134 A HA 0.288 4.607 4.320 -0.002 0.000 0.246 134 A C 0.446 177.999 177.584 -0.052 0.000 1.278 134 A CA 0.058 52.058 52.037 -0.062 0.000 0.903 134 A CB -0.026 18.906 19.000 -0.113 0.000 0.997 134 A HN 0.621 nan 8.150 nan 0.000 0.510 135 D N 0.647 121.026 120.400 -0.035 0.000 2.412 135 D HA 0.241 4.879 4.640 -0.002 0.000 0.224 135 D C 1.208 177.498 176.300 -0.017 0.000 1.093 135 D CA 0.577 54.563 54.000 -0.024 0.000 0.850 135 D CB 1.173 41.963 40.800 -0.017 0.000 1.046 135 D HN 0.179 nan 8.370 nan 0.000 0.507 136 T N 0.654 115.199 114.554 -0.016 0.000 3.044 136 T HA 0.008 4.356 4.350 -0.002 0.000 0.250 136 T C 1.211 175.906 174.700 -0.008 0.000 1.081 136 T CA 0.174 62.267 62.100 -0.012 0.000 1.040 136 T CB 0.363 69.224 68.868 -0.012 0.000 0.962 136 T HN 0.133 nan 8.240 nan 0.000 0.506 137 Q N 1.516 121.312 119.800 -0.006 0.000 2.084 137 Q HA 0.239 4.578 4.340 -0.002 0.000 0.194 137 Q C 1.231 177.230 176.000 -0.002 0.000 0.969 137 Q CA 0.488 56.289 55.803 -0.003 0.000 0.829 137 Q CB -0.425 28.312 28.738 -0.002 0.000 0.904 137 Q HN 0.550 nan 8.270 nan 0.000 0.464 138 R N 2.901 123.401 120.500 -0.001 0.000 2.488 138 R HA 0.004 4.343 4.340 -0.002 0.000 0.317 138 R C -2.203 174.097 176.300 -0.001 0.000 0.941 138 R CA -0.917 55.184 56.100 0.000 0.000 1.076 138 R CB 0.018 30.319 30.300 0.001 0.000 0.917 138 R HN -0.086 nan 8.270 nan 0.000 0.407 139 P HA -0.046 nan 4.420 nan 0.000 0.264 139 P C -0.295 177.005 177.300 -0.001 0.000 1.183 139 P CA 1.118 64.218 63.100 -0.001 0.000 0.763 139 P CB 0.927 32.627 31.700 0.000 0.000 0.807 140 A N 2.990 125.809 122.820 -0.002 0.000 3.132 140 A HA -0.277 4.042 4.320 -0.002 0.000 0.266 140 A C 1.862 179.444 177.584 -0.002 0.000 1.216 140 A CA 1.464 53.500 52.037 -0.002 0.000 0.985 140 A CB -2.406 16.594 19.000 -0.001 0.000 1.102 140 A HN 0.588 nan 8.150 nan 0.000 0.833 141 A N -0.646 122.173 122.820 -0.003 0.000 1.940 141 A HA -0.122 4.197 4.320 -0.002 0.000 0.219 141 A C 2.014 179.595 177.584 -0.005 0.000 1.176 141 A CA 1.890 53.925 52.037 -0.004 0.000 0.631 141 A CB -0.409 18.588 19.000 -0.005 0.000 0.814 141 A HN 0.761 nan 8.150 nan 0.000 0.446 142 R N -0.830 119.666 120.500 -0.006 0.000 2.090 142 R HA -0.084 4.255 4.340 -0.002 0.000 0.228 142 R C 2.293 178.590 176.300 -0.005 0.000 1.110 142 R CA 1.291 57.387 56.100 -0.007 0.000 0.973 142 R CB -0.262 30.033 30.300 -0.008 0.000 0.869 142 R HN 0.778 nan 8.270 nan 0.000 0.440 143 E N 1.086 121.283 120.200 -0.004 0.000 2.110 143 E HA -0.273 4.076 4.350 -0.002 0.000 0.193 143 E C 2.026 178.624 176.600 -0.003 0.000 0.988 143 E CA 1.136 57.534 56.400 -0.003 0.000 0.804 143 E CB 0.118 29.817 29.700 -0.002 0.000 0.745 143 E HN 0.309 nan 8.360 nan 0.000 0.458 144 Q N 0.142 119.941 119.800 -0.002 0.000 2.045 144 Q HA -0.220 4.119 4.340 -0.002 0.000 0.206 144 Q C 2.315 178.314 176.000 -0.002 0.000 0.991 144 Q CA 1.695 57.497 55.803 -0.001 0.000 0.851 144 Q CB -0.127 28.610 28.738 -0.001 0.000 0.911 144 Q HN 0.331 nan 8.270 nan 0.000 0.418 145 L N 0.833 122.055 121.223 -0.003 0.000 2.093 145 L HA -0.114 4.225 4.340 -0.002 0.000 0.208 145 L C 2.470 179.338 176.870 -0.003 0.000 1.085 145 L CA 1.743 56.581 54.840 -0.003 0.000 0.755 145 L CB -0.593 41.464 42.059 -0.004 0.000 0.904 145 L HN 0.185 nan 8.230 nan 0.000 0.435 146 R N -0.675 119.823 120.500 -0.004 0.000 2.080 146 R HA -0.187 4.152 4.340 -0.002 0.000 0.236 146 R C 2.274 178.572 176.300 -0.003 0.000 1.137 146 R CA 2.053 58.151 56.100 -0.004 0.000 0.943 146 R CB -0.452 29.845 30.300 -0.004 0.000 0.846 146 R HN 0.409 nan 8.270 nan 0.000 0.431 147 L N 0.594 121.816 121.223 -0.002 0.000 2.042 147 L HA -0.223 4.116 4.340 -0.002 0.000 0.210 147 L C 2.517 179.387 176.870 -0.001 0.000 1.076 147 L CA 1.297 56.136 54.840 -0.002 0.000 0.749 147 L CB -0.440 41.618 42.059 -0.001 0.000 0.893 147 L HN 0.305 nan 8.230 nan 0.000 0.432 148 L N -0.665 120.557 121.223 -0.001 0.000 2.056 148 L HA -0.124 4.215 4.340 -0.002 0.000 0.207 148 L C 2.724 179.594 176.870 -0.001 0.000 1.078 148 L CA 1.338 56.178 54.840 -0.000 0.000 0.749 148 L CB -1.238 40.821 42.059 0.001 0.000 0.901 148 L HN 0.325 nan 8.230 nan 0.000 0.433 149 G N -0.353 108.446 108.800 -0.002 0.000 2.469 149 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.219 149 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.219 149 G C 1.471 176.369 174.900 -0.004 0.000 1.150 149 G CA 0.979 46.077 45.100 -0.003 0.000 0.763 149 G HN 0.466 nan 8.290 nan 0.000 0.561 150 E N 0.236 120.434 120.200 -0.003 0.000 2.077 150 E HA -0.161 4.188 4.350 -0.002 0.000 0.193 150 E C 2.354 178.953 176.600 -0.003 0.000 0.989 150 E CA 1.216 57.614 56.400 -0.003 0.000 0.800 150 E CB -0.179 29.519 29.700 -0.003 0.000 0.746 150 E HN 0.466 nan 8.360 nan 0.000 0.452 151 K N 0.333 120.732 120.400 -0.002 0.000 2.057 151 K HA -0.123 4.195 4.320 -0.002 0.000 0.207 151 K C 2.015 178.614 176.600 -0.001 0.000 1.049 151 K CA 1.579 57.866 56.287 -0.001 0.000 0.931 151 K CB 0.035 32.536 32.500 0.000 0.000 0.714 151 K HN 0.225 nan 8.250 nan 0.000 0.440 152 V N -2.683 117.231 119.914 -0.001 0.000 3.649 152 V HA 0.322 4.441 4.120 -0.002 0.000 0.275 152 V C 0.616 176.708 176.094 -0.003 0.000 1.281 152 V CA 0.365 62.665 62.300 -0.001 0.000 1.143 152 V CB -0.293 31.531 31.823 0.003 0.000 0.892 152 V HN 0.382 nan 8.190 nan 0.000 0.441 153 G N 0.115 108.912 108.800 -0.005 0.000 2.298 153 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.287 153 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.287 153 G C -0.270 174.626 174.900 -0.008 0.000 1.075 153 G CA 0.284 45.380 45.100 -0.007 0.000 0.960 153 G HN 1.076 nan 8.290 nan 0.000 0.502 154 V N 1.300 121.209 119.914 -0.008 0.000 2.686 154 V HA 0.595 4.714 4.120 -0.002 0.000 0.306 154 V C -1.873 174.214 176.094 -0.012 0.000 1.065 154 V CA -1.531 60.762 62.300 -0.011 0.000 0.894 154 V CB 2.655 34.471 31.823 -0.010 0.000 1.004 154 V HN 0.235 nan 8.190 nan 0.000 0.424 155 P HA 0.256 nan 4.420 nan 0.000 0.272 155 P C -1.021 176.271 177.300 -0.014 0.000 1.223 155 P CA -0.039 63.053 63.100 -0.013 0.000 0.784 155 P CB 1.082 32.773 31.700 -0.015 0.000 0.923 156 V N 3.600 123.507 119.914 -0.011 0.000 2.443 156 V HA 0.276 4.395 4.120 -0.002 0.000 0.293 156 V C 0.264 176.352 176.094 -0.010 0.000 1.021 156 V CA -0.761 61.532 62.300 -0.010 0.000 0.848 156 V CB 1.497 33.315 31.823 -0.008 0.000 0.998 156 V HN 0.457 nan 8.190 nan 0.000 0.424 157 L N 4.953 126.169 121.223 -0.010 0.000 2.290 157 L HA 0.545 4.884 4.340 -0.002 0.000 0.284 157 L C 0.068 176.932 176.870 -0.010 0.000 1.078 157 L CA 0.039 54.873 54.840 -0.009 0.000 0.815 157 L CB 0.840 42.894 42.059 -0.008 0.000 1.162 157 L HN 0.682 nan 8.230 nan 0.000 0.435 158 E N 4.862 125.056 120.200 -0.009 0.000 2.113 158 E HA 0.276 4.625 4.350 -0.002 0.000 0.273 158 E C -0.734 175.859 176.600 -0.011 0.000 0.924 158 E CA -0.882 55.512 56.400 -0.010 0.000 0.764 158 E CB 2.121 31.816 29.700 -0.009 0.000 1.104 158 E HN 0.397 nan 8.360 nan 0.000 0.406 159 V N 4.207 124.113 119.914 -0.014 0.000 2.740 159 V HA 0.005 4.123 4.120 -0.002 0.000 0.303 159 V C 0.577 176.665 176.094 -0.011 0.000 1.054 159 V CA 0.360 62.652 62.300 -0.014 0.000 1.106 159 V CB 0.433 32.243 31.823 -0.021 0.000 0.957 159 V HN 0.705 nan 8.190 nan 0.000 0.486 160 M N 2.499 122.094 119.600 -0.009 0.000 2.283 160 M HA 0.277 4.756 4.480 -0.002 0.000 0.314 160 M C -0.019 176.277 176.300 -0.007 0.000 1.153 160 M CA -0.385 54.911 55.300 -0.007 0.000 1.084 160 M CB 0.451 33.048 32.600 -0.005 0.000 1.468 160 M HN 0.589 nan 8.290 nan 0.000 0.474 161 D N 0.951 121.347 120.400 -0.006 0.000 2.425 161 D HA 0.286 4.925 4.640 -0.002 0.000 0.247 161 D C 0.965 177.262 176.300 -0.005 0.000 1.147 161 D CA 1.409 55.406 54.000 -0.006 0.000 0.879 161 D CB 0.419 41.216 40.800 -0.005 0.000 1.179 161 D HN 0.827 nan 8.370 nan 0.000 0.456 162 G N 2.141 110.938 108.800 -0.005 0.000 2.175 162 G HA2 -0.387 3.571 3.960 -0.002 0.000 0.265 162 G HA3 -0.387 3.571 3.960 -0.002 0.000 0.265 162 G C 0.386 175.284 174.900 -0.003 0.000 0.979 162 G CA 0.331 45.428 45.100 -0.004 0.000 0.663 162 G HN 0.640 nan 8.290 nan 0.000 0.533 163 E N 1.131 121.328 120.200 -0.005 0.000 2.442 163 E HA 0.399 4.747 4.350 -0.002 0.000 0.262 163 E C 1.192 177.791 176.600 -0.002 0.000 1.004 163 E CA 0.340 56.738 56.400 -0.003 0.000 0.928 163 E CB 0.280 29.978 29.700 -0.004 0.000 0.937 163 E HN 0.577 nan 8.360 nan 0.000 0.446 164 S N 4.000 119.701 115.700 0.002 0.000 2.601 164 S HA 0.228 4.696 4.470 -0.002 0.000 0.271 164 S C -1.719 172.886 174.600 0.009 0.000 1.305 164 S CA -1.221 56.982 58.200 0.006 0.000 1.022 164 S CB 1.344 64.549 63.200 0.008 0.000 0.940 164 S HN 0.425 nan 8.310 nan 0.000 0.525 165 P HA -0.110 nan 4.420 nan 0.000 0.216 165 P C 0.904 178.223 177.300 0.031 0.000 1.150 165 P CA 1.316 64.432 63.100 0.027 0.000 0.837 165 P CB 0.003 31.727 31.700 0.040 0.000 0.786 166 E N -0.327 119.888 120.200 0.025 0.000 2.072 166 E HA -0.118 4.231 4.350 -0.002 0.000 0.191 166 E C 2.337 178.948 176.600 0.019 0.000 0.985 166 E CA 1.404 57.818 56.400 0.023 0.000 0.801 166 E CB -0.989 28.722 29.700 0.018 0.000 0.750 166 E HN 0.141 nan 8.360 nan 0.000 0.452 167 S N -0.338 115.371 115.700 0.014 0.000 2.383 167 S HA -0.092 4.377 4.470 -0.002 0.000 0.227 167 S C 1.870 176.477 174.600 0.011 0.000 1.026 167 S CA 0.752 58.958 58.200 0.011 0.000 0.981 167 S CB -0.229 62.975 63.200 0.007 0.000 0.818 167 S HN 0.178 nan 8.310 nan 0.000 0.472 168 I N 1.234 121.812 120.570 0.013 0.000 2.142 168 I HA -0.181 3.987 4.170 -0.002 0.000 0.240 168 I C 2.782 178.913 176.117 0.024 0.000 1.078 168 I CA 1.596 62.904 61.300 0.014 0.000 1.343 168 I CB -0.469 37.537 38.000 0.009 0.000 1.046 168 I HN 0.305 nan 8.210 nan 0.000 0.405 169 R N 1.083 121.604 120.500 0.034 0.000 2.103 169 R HA -0.238 4.101 4.340 -0.002 0.000 0.242 169 R C 2.572 178.888 176.300 0.027 0.000 1.142 169 R CA 1.694 57.818 56.100 0.040 0.000 0.960 169 R CB -0.293 30.035 30.300 0.045 0.000 0.858 169 R HN 0.238 nan 8.270 nan 0.000 0.439 170 R N 0.421 120.934 120.500 0.020 0.000 2.080 170 R HA -0.125 4.214 4.340 -0.002 0.000 0.236 170 R C 2.269 178.576 176.300 0.010 0.000 1.137 170 R CA 1.851 57.959 56.100 0.014 0.000 0.943 170 R CB -0.148 30.159 30.300 0.011 0.000 0.846 170 R HN 0.319 nan 8.270 nan 0.000 0.431 171 R N -0.270 120.236 120.500 0.009 0.000 2.090 171 R HA -0.042 4.297 4.340 -0.002 0.000 0.228 171 R C 2.320 178.623 176.300 0.005 0.000 1.110 171 R CA 1.137 57.240 56.100 0.005 0.000 0.973 171 R CB -0.231 30.071 30.300 0.003 0.000 0.869 171 R HN 0.115 nan 8.270 nan 0.000 0.440 172 V N 1.338 121.258 119.914 0.009 0.000 2.307 172 V HA -0.212 3.906 4.120 -0.002 0.000 0.245 172 V C 2.131 178.229 176.094 0.007 0.000 1.045 172 V CA 1.703 64.009 62.300 0.009 0.000 1.024 172 V CB -0.416 31.420 31.823 0.021 0.000 0.651 172 V HN 0.316 nan 8.190 nan 0.000 0.449 173 E N -0.262 119.945 120.200 0.011 0.000 2.097 173 E HA -0.303 4.046 4.350 -0.002 0.000 0.196 173 E C 2.277 178.878 176.600 0.002 0.000 1.000 173 E CA 1.742 58.146 56.400 0.007 0.000 0.804 173 E CB -0.101 29.606 29.700 0.011 0.000 0.740 173 E HN 0.689 nan 8.360 nan 0.000 0.454 174 E N 0.949 121.151 120.200 0.002 0.000 2.023 174 E HA -0.268 4.081 4.350 -0.002 0.000 0.196 174 E C 2.114 178.712 176.600 -0.003 0.000 1.003 174 E CA 1.433 57.833 56.400 -0.000 0.000 0.809 174 E CB 0.015 29.716 29.700 0.001 0.000 0.755 174 E HN 0.004 nan 8.360 nan 0.000 0.449 175 K N -0.106 120.292 120.400 -0.004 0.000 2.057 175 K HA -0.139 4.180 4.320 -0.002 0.000 0.207 175 K C 2.074 178.667 176.600 -0.011 0.000 1.049 175 K CA 1.130 57.413 56.287 -0.007 0.000 0.931 175 K CB -0.206 32.289 32.500 -0.008 0.000 0.714 175 K HN 0.187 nan 8.250 nan 0.000 0.440 176 A N 1.630 124.443 122.820 -0.013 0.000 1.908 176 A HA -0.214 4.105 4.320 -0.002 0.000 0.218 176 A C 2.185 179.759 177.584 -0.017 0.000 1.181 176 A CA 1.597 53.623 52.037 -0.019 0.000 0.627 176 A CB -0.598 18.390 19.000 -0.021 0.000 0.818 176 A HN 0.333 nan 8.150 nan 0.000 0.445 177 R N -0.308 120.185 120.500 -0.012 0.000 2.062 177 R HA -0.032 4.307 4.340 -0.002 0.000 0.231 177 R C 2.023 178.317 176.300 -0.010 0.000 1.136 177 R CA 1.571 57.666 56.100 -0.010 0.000 0.948 177 R CB -0.477 29.819 30.300 -0.006 0.000 0.845 177 R HN 0.552 nan 8.270 nan 0.000 0.430 178 L N 0.248 121.466 121.223 -0.008 0.000 2.261 178 L HA -0.130 4.209 4.340 -0.002 0.000 0.216 178 L C 1.359 178.223 176.870 -0.010 0.000 1.114 178 L CA 1.338 56.173 54.840 -0.008 0.000 0.777 178 L CB -0.219 41.837 42.059 -0.006 0.000 0.910 178 L HN 0.296 nan 8.230 nan 0.000 0.440 179 E N -0.704 119.488 120.200 -0.012 0.000 2.526 179 E HA 0.275 4.624 4.350 -0.002 0.000 0.208 179 E C 0.596 177.185 176.600 -0.017 0.000 0.997 179 E CA 0.374 56.766 56.400 -0.014 0.000 0.961 179 E CB 0.708 30.399 29.700 -0.015 0.000 1.030 179 E HN 0.299 nan 8.360 nan 0.000 0.483 180 A N 2.025 124.834 122.820 -0.018 0.000 2.648 180 A HA -0.243 4.076 4.320 -0.002 0.000 0.297 180 A C -0.290 177.277 177.584 -0.028 0.000 1.467 180 A CA 0.800 52.825 52.037 -0.020 0.000 0.731 180 A CB -1.663 17.328 19.000 -0.017 0.000 1.085 180 A HN 0.207 nan 8.150 nan 0.000 0.437 181 R N 0.066 120.546 120.500 -0.033 0.000 2.387 181 R HA 0.493 4.832 4.340 -0.002 0.000 0.314 181 R C 0.233 176.496 176.300 -0.062 0.000 0.958 181 R CA -0.108 55.964 56.100 -0.048 0.000 0.846 181 R CB 0.899 31.171 30.300 -0.046 0.000 1.147 181 R HN 0.552 nan 8.270 nan 0.000 0.447 182 D N 2.535 122.885 120.400 -0.083 0.000 2.469 182 D HA 0.037 4.676 4.640 -0.002 0.000 0.215 182 D C -0.192 176.001 176.300 -0.179 0.000 1.154 182 D CA -0.125 53.814 54.000 -0.101 0.000 0.832 182 D CB 0.425 41.178 40.800 -0.079 0.000 1.008 182 D HN 0.140 nan 8.370 nan 0.000 0.506 183 L N 1.210 122.302 121.223 -0.218 0.000 2.457 183 L HA 0.465 4.804 4.340 -0.002 0.000 0.266 183 L C -1.567 175.123 176.870 -0.300 0.000 0.979 183 L CA -0.762 53.851 54.840 -0.378 0.000 0.857 183 L CB 1.381 43.149 42.059 -0.486 0.000 1.213 183 L HN -0.074 nan 8.230 nan 0.000 0.418 184 I N 5.894 126.298 120.570 -0.276 0.000 2.312 184 I HA 0.336 4.505 4.170 -0.002 0.000 0.290 184 I C -0.652 175.395 176.117 -0.116 0.000 1.008 184 I CA -0.427 60.789 61.300 -0.140 0.000 1.226 184 I CB 1.261 39.230 38.000 -0.051 0.000 1.371 184 I HN 0.437 nan 8.210 nan 0.000 0.468 185 L N 7.536 128.719 121.223 -0.066 0.000 2.283 185 L HA 0.393 4.732 4.340 -0.002 0.000 0.281 185 L C -0.461 176.446 176.870 0.062 0.000 1.033 185 L CA -0.668 54.181 54.840 0.015 0.000 0.848 185 L CB 1.275 43.327 42.059 -0.011 0.000 1.226 185 L HN 0.309 nan 8.230 nan 0.000 0.429 186 V N 1.701 121.694 119.914 0.132 0.000 2.353 186 V HA 0.096 4.215 4.120 -0.002 0.000 0.264 186 V C 0.016 176.114 176.094 0.007 0.000 1.049 186 V CA -0.444 61.885 62.300 0.049 0.000 0.896 186 V CB 1.187 33.019 31.823 0.015 0.000 1.025 186 V HN 0.592 nan 8.190 nan 0.000 0.475 187 D N 4.650 125.040 120.400 -0.016 0.000 2.352 187 D HA 0.244 4.883 4.640 -0.002 0.000 0.245 187 D C 0.526 176.788 176.300 -0.063 0.000 1.224 187 D CA -0.016 53.974 54.000 -0.017 0.000 0.879 187 D CB 0.906 41.703 40.800 -0.005 0.000 1.057 187 D HN 0.686 nan 8.370 nan 0.000 0.491 188 T N 0.754 115.264 114.554 -0.073 0.000 2.929 188 T HA 0.719 5.068 4.350 -0.002 0.000 0.284 188 T C 0.389 175.074 174.700 -0.025 0.000 1.014 188 T CA -0.941 61.105 62.100 -0.088 0.000 1.051 188 T CB 1.499 70.286 68.868 -0.135 0.000 1.028 188 T HN 0.384 nan 8.240 nan 0.000 0.485 189 A N 1.497 124.306 122.820 -0.017 0.000 2.483 189 A HA 0.577 4.896 4.320 -0.002 0.000 0.238 189 A C 1.062 178.670 177.584 0.040 0.000 1.070 189 A CA -0.130 51.911 52.037 0.007 0.000 0.770 189 A CB -0.696 18.307 19.000 0.004 0.000 1.008 189 A HN 1.332 nan 8.150 nan 0.000 0.497 190 G N 0.802 109.627 108.800 0.042 0.000 2.491 190 G HA2 0.487 4.446 3.960 -0.002 0.000 0.242 190 G HA3 0.487 4.446 3.960 -0.002 0.000 0.242 190 G C 0.141 175.097 174.900 0.094 0.000 1.266 190 G CA -0.229 44.914 45.100 0.071 0.000 0.844 190 G HN 1.139 nan 8.290 nan 0.000 0.571 191 R N 1.204 121.803 120.500 0.164 0.000 2.710 191 R HA 0.438 4.777 4.340 -0.002 0.000 0.270 191 R C -1.094 175.306 176.300 0.168 0.000 1.021 191 R CA -1.079 55.099 56.100 0.130 0.000 0.889 191 R CB 1.014 31.366 30.300 0.088 0.000 1.243 191 R HN 0.361 nan 8.270 nan 0.000 0.464 192 L N 2.512 123.783 121.223 0.081 0.000 2.439 192 L HA 0.046 4.385 4.340 -0.002 0.000 0.269 192 L C 1.856 178.721 176.870 -0.008 0.000 1.179 192 L CA -0.430 54.450 54.840 0.068 0.000 0.828 192 L CB 0.950 43.027 42.059 0.030 0.000 1.106 192 L HN 0.802 nan 8.230 nan 0.000 0.467 193 Q N 4.096 123.897 119.800 0.003 0.000 2.436 193 Q HA -0.120 4.219 4.340 -0.002 0.000 0.209 193 Q C 1.211 177.128 176.000 -0.138 0.000 0.965 193 Q CA 1.459 57.158 55.803 -0.174 0.000 0.910 193 Q CB -0.142 28.581 28.738 -0.025 0.000 0.980 193 Q HN 0.891 nan 8.270 nan 0.000 0.491 194 I N -2.506 118.026 120.570 -0.064 0.000 3.883 194 I HA 0.284 4.453 4.170 -0.002 0.000 0.326 194 I C 0.322 176.409 176.117 -0.049 0.000 1.283 194 I CA -0.282 60.988 61.300 -0.049 0.000 1.161 194 I CB 0.172 38.160 38.000 -0.021 0.000 1.012 194 I HN -0.215 nan 8.210 nan 0.000 0.421 195 D N 2.942 123.308 120.400 -0.058 0.000 2.483 195 D HA 0.012 4.651 4.640 -0.002 0.000 0.220 195 D C 1.073 177.339 176.300 -0.057 0.000 1.173 195 D CA 0.158 54.132 54.000 -0.044 0.000 0.964 195 D CB 0.710 41.492 40.800 -0.029 0.000 1.046 195 D HN 0.183 nan 8.370 nan 0.000 0.517 196 E N 2.430 122.602 120.200 -0.048 0.000 2.058 196 E HA -0.132 4.217 4.350 -0.002 0.000 0.194 196 E C -0.778 175.797 176.600 -0.041 0.000 0.997 196 E CA 1.055 57.426 56.400 -0.049 0.000 0.801 196 E CB -1.105 28.573 29.700 -0.037 0.000 0.746 196 E HN 0.510 nan 8.360 nan 0.000 0.450 197 P HA -0.124 nan 4.420 nan 0.000 0.215 197 P C 1.648 178.933 177.300 -0.024 0.000 1.153 197 P CA 1.070 64.157 63.100 -0.022 0.000 0.853 197 P CB -0.076 31.615 31.700 -0.015 0.000 0.788 198 L N -2.276 118.929 121.223 -0.029 0.000 2.156 198 L HA -0.077 4.262 4.340 -0.002 0.000 0.208 198 L C 2.423 179.266 176.870 -0.045 0.000 1.095 198 L CA 0.982 55.806 54.840 -0.027 0.000 0.770 198 L CB -0.656 41.392 42.059 -0.018 0.000 0.914 198 L HN -0.033 nan 8.230 nan 0.000 0.439 199 M N -0.517 119.034 119.600 -0.082 0.000 2.175 199 M HA -0.062 4.417 4.480 -0.002 0.000 0.264 199 M C 2.361 178.622 176.300 -0.065 0.000 1.063 199 M CA 1.592 56.817 55.300 -0.125 0.000 1.119 199 M CB -1.574 30.910 32.600 -0.193 0.000 1.377 199 M HN 0.294 nan 8.290 nan 0.000 0.415 200 G N 0.036 108.810 108.800 -0.043 0.000 2.421 200 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.216 200 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.216 200 G C 1.442 176.342 174.900 0.000 0.000 1.171 200 G CA 0.985 46.074 45.100 -0.018 0.000 0.775 200 G HN 0.572 nan 8.290 nan 0.000 0.543 201 E N -0.225 119.974 120.200 -0.002 0.000 2.070 201 E HA -0.189 4.160 4.350 -0.002 0.000 0.197 201 E C 2.399 179.016 176.600 0.028 0.000 1.004 201 E CA 1.204 57.609 56.400 0.008 0.000 0.805 201 E CB -0.218 29.480 29.700 -0.002 0.000 0.744 201 E HN 0.319 nan 8.360 nan 0.000 0.451 202 L N 0.752 121.993 121.223 0.031 0.000 2.056 202 L HA -0.056 4.283 4.340 -0.002 0.000 0.207 202 L C 2.320 179.280 176.870 0.149 0.000 1.078 202 L CA 2.095 56.985 54.840 0.082 0.000 0.749 202 L CB -0.724 41.387 42.059 0.087 0.000 0.901 202 L HN 0.198 nan 8.230 nan 0.000 0.433 203 A N -0.506 122.366 122.820 0.086 0.000 1.902 203 A HA -0.253 4.066 4.320 -0.002 0.000 0.217 203 A C 2.525 180.162 177.584 0.089 0.000 1.181 203 A CA 1.827 53.913 52.037 0.081 0.000 0.623 203 A CB -0.607 18.411 19.000 0.031 0.000 0.818 203 A HN 0.487 nan 8.150 nan 0.000 0.443 204 R N -0.903 119.640 120.500 0.072 0.000 2.075 204 R HA -0.059 4.279 4.340 -0.002 0.000 0.232 204 R C 2.014 178.377 176.300 0.106 0.000 1.126 204 R CA 1.423 57.564 56.100 0.067 0.000 0.963 204 R CB -0.401 29.924 30.300 0.042 0.000 0.858 204 R HN 0.423 nan 8.270 nan 0.000 0.435 205 L N 1.510 122.816 121.223 0.138 0.000 2.046 205 L HA -0.173 4.166 4.340 -0.002 0.000 0.208 205 L C 2.307 179.424 176.870 0.413 0.000 1.077 205 L CA 1.906 56.870 54.840 0.206 0.000 0.747 205 L CB -0.411 41.702 42.059 0.091 0.000 0.896 205 L HN 0.141 nan 8.230 nan 0.000 0.432 206 K N -0.468 120.198 120.400 0.442 0.000 2.063 206 K HA -0.280 4.038 4.320 -0.002 0.000 0.208 206 K C 2.139 178.775 176.600 0.060 0.000 1.048 206 K CA 1.919 58.311 56.287 0.175 0.000 0.928 206 K CB -0.233 32.305 32.500 0.063 0.000 0.713 206 K HN 0.534 nan 8.250 nan 0.000 0.442 207 E N 0.018 120.265 120.200 0.078 0.000 2.058 207 E HA -0.182 4.167 4.350 -0.002 0.000 0.194 207 E C 1.829 178.457 176.600 0.047 0.000 0.997 207 E CA 1.654 58.080 56.400 0.043 0.000 0.801 207 E CB 0.116 29.840 29.700 0.040 0.000 0.746 207 E HN 0.181 nan 8.360 nan 0.000 0.450 208 V N 1.049 121.008 119.914 0.075 0.000 2.323 208 V HA -0.197 3.922 4.120 -0.002 0.000 0.244 208 V C 2.370 178.513 176.094 0.081 0.000 1.041 208 V CA 1.279 63.621 62.300 0.070 0.000 1.025 208 V CB -0.305 31.561 31.823 0.072 0.000 0.656 208 V HN 0.343 nan 8.190 nan 0.000 0.451 209 L N 0.316 121.620 121.223 0.135 0.000 2.341 209 L HA 0.233 4.572 4.340 -0.002 0.000 0.214 209 L C 1.606 178.511 176.870 0.059 0.000 1.115 209 L CA 0.850 55.777 54.840 0.145 0.000 0.820 209 L CB -0.766 41.486 42.059 0.321 0.000 0.944 209 L HN 0.589 nan 8.230 nan 0.000 0.452 210 G N 1.851 110.646 108.800 -0.007 0.000 2.359 210 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.298 210 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.298 210 G C -2.124 172.715 174.900 -0.102 0.000 1.030 210 G CA -0.459 44.605 45.100 -0.059 0.000 1.149 210 G HN 0.203 nan 8.290 nan 0.000 0.512 211 P HA 0.191 nan 4.420 nan 0.000 0.269 211 P C 0.454 177.692 177.300 -0.104 0.000 1.209 211 P CA -0.170 62.797 63.100 -0.220 0.000 0.776 211 P CB 0.931 32.245 31.700 -0.644 0.000 0.876 212 D N 0.381 120.807 120.400 0.042 0.000 2.249 212 D HA -0.015 4.624 4.640 -0.002 0.000 0.205 212 D C 0.254 176.527 176.300 -0.045 0.000 0.962 212 D CA 1.194 55.222 54.000 0.047 0.000 0.860 212 D CB 0.594 41.487 40.800 0.155 0.000 0.955 212 D HN 0.469 nan 8.370 nan 0.000 0.505 213 E N 0.576 120.711 120.200 -0.107 0.000 2.317 213 E HA 0.424 4.773 4.350 -0.002 0.000 0.270 213 E C -0.880 175.621 176.600 -0.165 0.000 0.885 213 E CA -0.748 55.455 56.400 -0.328 0.000 0.760 213 E CB 3.434 32.508 29.700 -1.043 0.000 1.227 213 E HN -0.245 nan 8.360 nan 0.000 0.434 214 V N 3.503 123.350 119.914 -0.112 0.000 2.357 214 V HA 0.282 4.401 4.120 -0.002 0.000 0.281 214 V C -0.300 175.806 176.094 0.020 0.000 1.015 214 V CA -0.546 61.756 62.300 0.003 0.000 0.827 214 V CB 0.837 32.655 31.823 -0.008 0.000 1.018 214 V HN 0.449 nan 8.190 nan 0.000 0.432 215 L N 5.397 126.657 121.223 0.062 0.000 2.260 215 L HA 0.458 4.797 4.340 -0.002 0.000 0.289 215 L C -0.207 176.669 176.870 0.011 0.000 1.057 215 L CA -0.643 54.221 54.840 0.039 0.000 0.811 215 L CB 1.311 43.424 42.059 0.090 0.000 1.184 215 L HN 0.443 nan 8.230 nan 0.000 0.429 216 L N 5.701 126.888 121.223 -0.059 0.000 2.325 216 L HA 0.243 4.582 4.340 -0.002 0.000 0.284 216 L C -0.173 176.618 176.870 -0.132 0.000 1.089 216 L CA 0.191 54.940 54.840 -0.153 0.000 0.836 216 L CB 1.028 42.968 42.059 -0.198 0.000 1.184 216 L HN 0.262 nan 8.230 nan 0.000 0.444 217 V N 6.996 126.834 119.914 -0.128 0.000 2.408 217 V HA 0.292 4.411 4.120 -0.002 0.000 0.267 217 V C -0.036 175.985 176.094 -0.121 0.000 1.047 217 V CA -0.377 61.871 62.300 -0.086 0.000 0.937 217 V CB 1.015 32.811 31.823 -0.044 0.000 0.999 217 V HN 0.638 nan 8.190 nan 0.000 0.472 218 L N 4.744 125.907 121.223 -0.100 0.000 2.356 218 L HA 0.593 4.931 4.340 -0.002 0.000 0.277 218 L C -0.258 176.576 176.870 -0.060 0.000 0.996 218 L CA -0.152 54.629 54.840 -0.099 0.000 0.822 218 L CB 1.752 43.741 42.059 -0.116 0.000 1.256 218 L HN 0.598 nan 8.230 nan 0.000 0.413 219 D N 3.446 123.818 120.400 -0.047 0.000 2.390 219 D HA 0.190 4.829 4.640 -0.002 0.000 0.249 219 D C 0.895 177.183 176.300 -0.021 0.000 1.144 219 D CA 0.569 54.554 54.000 -0.025 0.000 0.880 219 D CB 2.096 42.884 40.800 -0.020 0.000 1.182 219 D HN 0.744 nan 8.370 nan 0.000 0.451 220 A N 4.376 127.193 122.820 -0.007 0.000 2.070 220 A HA -0.173 4.146 4.320 -0.002 0.000 0.220 220 A C 2.022 179.605 177.584 -0.002 0.000 1.159 220 A CA 1.465 53.502 52.037 0.001 0.000 0.656 220 A CB -0.635 18.378 19.000 0.022 0.000 0.800 220 A HN 0.794 nan 8.150 nan 0.000 0.453 221 M N -1.704 117.894 119.600 -0.004 0.000 2.561 221 M HA 0.133 4.612 4.480 -0.002 0.000 0.238 221 M C -0.082 176.213 176.300 -0.008 0.000 1.131 221 M CA 0.387 55.684 55.300 -0.004 0.000 1.046 221 M CB -0.671 31.928 32.600 -0.001 0.000 1.532 221 M HN 0.037 nan 8.290 nan 0.000 0.497 222 T N 2.255 116.802 114.554 -0.013 0.000 2.933 222 T HA 0.297 4.646 4.350 -0.002 0.000 0.306 222 T C 0.952 175.644 174.700 -0.014 0.000 1.045 222 T CA 0.409 62.501 62.100 -0.014 0.000 1.143 222 T CB 1.039 69.894 68.868 -0.021 0.000 1.003 222 T HN 0.548 nan 8.240 nan 0.000 0.540 223 G N 1.236 110.030 108.800 -0.010 0.000 3.137 223 G HA2 0.098 4.057 3.960 -0.002 0.000 0.163 223 G HA3 0.098 4.057 3.960 -0.002 0.000 0.163 223 G C 0.945 175.838 174.900 -0.011 0.000 1.602 223 G CA -0.295 44.798 45.100 -0.011 0.000 1.067 223 G HN 0.578 nan 8.290 nan 0.000 0.568 224 Q N -0.141 119.654 119.800 -0.008 0.000 2.224 224 Q HA -0.044 4.295 4.340 -0.002 0.000 0.203 224 Q C 2.145 178.145 176.000 -0.001 0.000 0.970 224 Q CA 0.698 56.496 55.803 -0.008 0.000 0.865 224 Q CB -0.059 28.675 28.738 -0.007 0.000 0.922 224 Q HN 0.443 nan 8.270 nan 0.000 0.445 225 E N 0.689 120.892 120.200 0.005 0.000 2.472 225 E HA -0.050 4.298 4.350 -0.002 0.000 0.200 225 E C 1.722 178.334 176.600 0.020 0.000 1.046 225 E CA 0.573 56.982 56.400 0.016 0.000 0.871 225 E CB -0.144 29.569 29.700 0.022 0.000 0.806 225 E HN 0.295 nan 8.360 nan 0.000 0.533 226 A N 1.350 124.174 122.820 0.007 0.000 1.892 226 A HA -0.217 4.101 4.320 -0.002 0.000 0.218 226 A C 2.271 179.863 177.584 0.013 0.000 1.188 226 A CA 1.533 53.571 52.037 0.001 0.000 0.631 226 A CB -0.811 18.179 19.000 -0.017 0.000 0.822 226 A HN 0.363 nan 8.150 nan 0.000 0.447 227 L N -0.194 121.038 121.223 0.016 0.000 1.971 227 L HA -0.235 4.104 4.340 -0.002 0.000 0.215 227 L C 2.802 179.698 176.870 0.044 0.000 1.072 227 L CA 2.495 57.355 54.840 0.032 0.000 0.758 227 L CB -0.402 41.676 42.059 0.031 0.000 0.889 227 L HN 0.495 nan 8.230 nan 0.000 0.433 228 S N -1.350 114.374 115.700 0.041 0.000 2.399 228 S HA -0.152 4.317 4.470 -0.002 0.000 0.231 228 S C 1.797 176.443 174.600 0.076 0.000 1.022 228 S CA 1.513 59.742 58.200 0.048 0.000 0.983 228 S CB -0.361 62.861 63.200 0.036 0.000 0.803 228 S HN 0.344 nan 8.310 nan 0.000 0.480 229 V N 1.845 121.815 119.914 0.093 0.000 2.346 229 V HA 0.035 4.154 4.120 -0.002 0.000 0.244 229 V C 3.043 179.272 176.094 0.225 0.000 1.037 229 V CA 1.501 63.906 62.300 0.174 0.000 1.029 229 V CB -1.362 30.540 31.823 0.132 0.000 0.663 229 V HN 0.630 nan 8.190 nan 0.000 0.454 230 A N 0.235 123.119 122.820 0.105 0.000 1.883 230 A HA -0.290 4.029 4.320 -0.002 0.000 0.217 230 A C 2.399 180.049 177.584 0.110 0.000 1.186 230 A CA 2.279 54.363 52.037 0.079 0.000 0.624 230 A CB -0.635 18.374 19.000 0.014 0.000 0.822 230 A HN 0.483 nan 8.150 nan 0.000 0.444 231 R N -0.374 120.177 120.500 0.084 0.000 2.083 231 R HA -0.129 4.210 4.340 -0.002 0.000 0.237 231 R C 2.302 178.643 176.300 0.069 0.000 1.137 231 R CA 1.622 57.759 56.100 0.062 0.000 0.951 231 R CB -0.455 29.872 30.300 0.045 0.000 0.851 231 R HN 0.435 nan 8.270 nan 0.000 0.434 232 A N 0.317 123.184 122.820 0.080 0.000 1.873 232 A HA -0.129 4.190 4.320 -0.002 0.000 0.215 232 A C 2.017 179.596 177.584 -0.008 0.000 1.186 232 A CA 1.201 53.248 52.037 0.016 0.000 0.616 232 A CB -0.772 18.216 19.000 -0.020 0.000 0.823 232 A HN 0.402 nan 8.150 nan 0.000 0.442 233 F N 0.020 119.973 119.950 0.004 0.000 2.161 233 F HA -0.183 4.343 4.527 -0.002 0.000 0.300 233 F C 2.170 177.972 175.800 0.005 0.000 1.089 233 F CA 1.888 59.894 58.000 0.009 0.000 1.282 233 F CB -0.203 38.804 39.000 0.010 0.000 1.010 233 F HN 0.334 nan 8.300 nan 0.000 0.485 234 D N -0.363 120.135 120.400 0.163 0.000 2.162 234 D HA -0.108 4.531 4.640 -0.002 0.000 0.203 234 D C 1.936 178.260 176.300 0.038 0.000 0.967 234 D CA 1.129 55.178 54.000 0.081 0.000 0.840 234 D CB -0.011 40.818 40.800 0.048 0.000 0.972 234 D HN 0.279 nan 8.370 nan 0.000 0.482 235 E N -0.233 119.983 120.200 0.026 0.000 2.076 235 E HA -0.063 4.286 4.350 -0.002 0.000 0.190 235 E C 1.935 178.530 176.600 -0.008 0.000 0.979 235 E CA 0.727 57.129 56.400 0.004 0.000 0.807 235 E CB 0.171 29.870 29.700 -0.002 0.000 0.761 235 E HN 0.212 nan 8.360 nan 0.000 0.454 236 K N -0.110 120.275 120.400 -0.025 0.000 2.243 236 K HA 0.017 4.336 4.320 -0.002 0.000 0.201 236 K C 1.637 178.222 176.600 -0.025 0.000 1.051 236 K CA 0.637 56.896 56.287 -0.047 0.000 0.970 236 K CB 0.692 33.126 32.500 -0.110 0.000 0.755 236 K HN -0.026 nan 8.250 nan 0.000 0.465 237 V N -0.961 118.957 119.914 0.006 0.000 3.137 237 V HA 0.233 4.352 4.120 -0.002 0.000 0.236 237 V C 0.334 176.455 176.094 0.046 0.000 1.260 237 V CA 0.228 62.556 62.300 0.047 0.000 1.244 237 V CB 1.009 32.898 31.823 0.110 0.000 1.016 237 V HN 0.379 nan 8.190 nan 0.000 0.477 238 G N 1.196 110.026 108.800 0.051 0.000 3.251 238 G HA2 -0.044 3.914 3.960 -0.002 0.000 0.680 238 G HA3 -0.044 3.914 3.960 -0.002 0.000 0.680 238 G C -0.853 174.065 174.900 0.030 0.000 1.129 238 G CA -0.217 44.898 45.100 0.025 0.000 0.994 238 G HN 0.296 nan 8.290 nan 0.000 0.450 239 V N 2.207 122.137 119.914 0.028 0.000 2.834 239 V HA 0.834 4.953 4.120 -0.002 0.000 0.313 239 V C 1.495 177.567 176.094 -0.038 0.000 1.060 239 V CA 0.550 62.856 62.300 0.010 0.000 0.989 239 V CB 1.884 33.716 31.823 0.016 0.000 1.041 239 V HN 1.469 nan 8.190 nan 0.000 0.459 240 T N -1.317 113.201 114.554 -0.061 0.000 2.986 240 T HA 0.503 4.852 4.350 -0.002 0.000 0.264 240 T C 0.394 175.013 174.700 -0.135 0.000 0.964 240 T CA 0.452 62.504 62.100 -0.080 0.000 0.895 240 T CB 0.527 69.353 68.868 -0.070 0.000 1.163 240 T HN 1.199 nan 8.240 nan 0.000 0.517 241 G N 0.507 109.206 108.800 -0.167 0.000 2.506 241 G HA2 0.578 4.537 3.960 -0.002 0.000 0.292 241 G HA3 0.578 4.537 3.960 -0.002 0.000 0.292 241 G C -2.573 172.181 174.900 -0.244 0.000 1.425 241 G CA -0.843 44.043 45.100 -0.356 0.000 0.788 241 G HN 0.278 nan 8.290 nan 0.000 0.490 242 L N -0.439 120.589 121.223 -0.326 0.000 2.388 242 L HA 0.767 5.105 4.340 -0.002 0.000 0.264 242 L C -0.466 176.333 176.870 -0.118 0.000 0.998 242 L CA -0.856 53.856 54.840 -0.213 0.000 0.817 242 L CB 2.557 44.444 42.059 -0.286 0.000 1.338 242 L HN 0.438 nan 8.230 nan 0.000 0.414 243 V N 3.263 123.147 119.914 -0.050 0.000 2.487 243 V HA 0.472 4.591 4.120 -0.002 0.000 0.298 243 V C -0.864 175.204 176.094 -0.043 0.000 1.028 243 V CA -0.607 61.706 62.300 0.023 0.000 0.860 243 V CB 1.904 33.793 31.823 0.111 0.000 0.991 243 V HN 0.460 nan 8.190 nan 0.000 0.427 244 L N 5.901 127.098 121.223 -0.044 0.000 2.265 244 L HA 0.687 5.026 4.340 -0.002 0.000 0.289 244 L C 0.575 177.460 176.870 0.025 0.000 1.033 244 L CA 0.484 55.301 54.840 -0.038 0.000 0.814 244 L CB 1.523 43.544 42.059 -0.064 0.000 1.203 244 L HN 0.925 nan 8.230 nan 0.000 0.423 245 T N 0.650 115.211 114.554 0.010 0.000 2.936 245 T HA 0.484 4.833 4.350 -0.002 0.000 0.282 245 T C 0.350 175.065 174.700 0.024 0.000 1.003 245 T CA -0.642 61.471 62.100 0.021 0.000 1.005 245 T CB 1.074 69.946 68.868 0.007 0.000 1.097 245 T HN 0.570 nan 8.240 nan 0.000 0.532 246 K N -0.232 120.183 120.400 0.026 0.000 3.129 246 K HA -0.133 4.186 4.320 -0.002 0.000 0.273 246 K C 0.726 177.345 176.600 0.032 0.000 1.123 246 K CA 0.399 56.700 56.287 0.024 0.000 0.800 246 K CB -1.923 30.586 32.500 0.014 0.000 1.238 246 K HN 0.587 nan 8.250 nan 0.000 0.492 247 L N 0.707 121.958 121.223 0.047 0.000 2.552 247 L HA -0.101 4.238 4.340 -0.002 0.000 0.227 247 L C 1.859 178.756 176.870 0.046 0.000 1.146 247 L CA 0.942 55.816 54.840 0.056 0.000 0.858 247 L CB -0.131 41.980 42.059 0.087 0.000 0.969 247 L HN 0.326 nan 8.230 nan 0.000 0.451 248 D N -0.775 119.648 120.400 0.038 0.000 2.363 248 D HA -0.023 4.616 4.640 -0.002 0.000 0.226 248 D C 1.085 177.399 176.300 0.024 0.000 1.020 248 D CA 0.338 54.357 54.000 0.031 0.000 0.892 248 D CB -0.149 40.668 40.800 0.028 0.000 0.900 248 D HN 0.178 nan 8.370 nan 0.000 0.531 249 G N 1.118 109.932 108.800 0.023 0.000 2.510 249 G HA2 0.257 4.216 3.960 -0.002 0.000 0.280 249 G HA3 0.257 4.216 3.960 -0.002 0.000 0.280 249 G C 0.224 175.135 174.900 0.018 0.000 1.386 249 G CA 0.019 45.129 45.100 0.018 0.000 1.047 249 G HN 0.154 nan 8.290 nan 0.000 0.527 250 D N -1.657 118.752 120.400 0.014 0.000 2.469 250 D HA 0.350 4.989 4.640 -0.002 0.000 0.215 250 D C 1.140 177.446 176.300 0.010 0.000 1.154 250 D CA 0.063 54.070 54.000 0.013 0.000 0.832 250 D CB -0.176 40.630 40.800 0.010 0.000 1.008 250 D HN 0.492 nan 8.370 nan 0.000 0.506 251 A N 0.971 123.797 122.820 0.010 0.000 2.555 251 A HA 0.112 4.431 4.320 -0.002 0.000 0.233 251 A C 1.441 179.030 177.584 0.009 0.000 1.060 251 A CA -0.160 51.881 52.037 0.006 0.000 0.759 251 A CB 0.551 19.554 19.000 0.006 0.000 0.995 251 A HN 0.016 nan 8.150 nan 0.000 0.506 252 R N 1.417 121.918 120.500 0.001 0.000 2.119 252 R HA 0.040 4.379 4.340 -0.002 0.000 0.222 252 R C 1.509 177.813 176.300 0.007 0.000 1.088 252 R CA 1.154 57.254 56.100 -0.000 0.000 0.984 252 R CB -0.713 29.578 30.300 -0.015 0.000 0.884 252 R HN 1.781 nan 8.270 nan 0.000 0.447 253 G N -0.746 108.056 108.800 0.004 0.000 2.130 253 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.216 253 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.216 253 G C 0.896 175.792 174.900 -0.006 0.000 0.999 253 G CA 0.391 45.499 45.100 0.012 0.000 0.686 253 G HN 0.482 nan 8.290 nan 0.000 0.515 254 G N 0.302 109.085 108.800 -0.029 0.000 2.498 254 G HA2 0.225 4.184 3.960 -0.002 0.000 0.219 254 G HA3 0.225 4.184 3.960 -0.002 0.000 0.219 254 G C 1.861 176.729 174.900 -0.053 0.000 1.119 254 G CA 2.103 47.170 45.100 -0.055 0.000 0.766 254 G HN 1.620 nan 8.290 nan 0.000 0.552 255 A N 0.924 123.720 122.820 -0.041 0.000 2.070 255 A HA 0.288 4.607 4.320 -0.002 0.000 0.220 255 A C 2.713 180.265 177.584 -0.054 0.000 1.159 255 A CA 1.936 53.947 52.037 -0.042 0.000 0.656 255 A CB -0.453 18.525 19.000 -0.037 0.000 0.800 255 A HN 0.665 nan 8.150 nan 0.000 0.453 256 A N -0.565 122.220 122.820 -0.059 0.000 1.930 256 A HA 0.050 4.369 4.320 -0.002 0.000 0.217 256 A C 2.068 179.608 177.584 -0.072 0.000 1.175 256 A CA 1.556 53.538 52.037 -0.092 0.000 0.627 256 A CB -0.450 18.496 19.000 -0.091 0.000 0.815 256 A HN 0.650 nan 8.150 nan 0.000 0.443 257 L N -0.050 121.143 121.223 -0.050 0.000 2.072 257 L HA -0.054 4.284 4.340 -0.002 0.000 0.205 257 L C 2.473 179.341 176.870 -0.002 0.000 1.079 257 L CA 2.495 57.313 54.840 -0.036 0.000 0.752 257 L CB -0.693 41.308 42.059 -0.097 0.000 0.906 257 L HN 0.282 nan 8.230 nan 0.000 0.436 258 S N 0.303 115.989 115.700 -0.024 0.000 2.365 258 S HA -0.240 4.229 4.470 -0.002 0.000 0.225 258 S C 2.114 176.735 174.600 0.035 0.000 1.039 258 S CA 1.367 59.570 58.200 0.005 0.000 1.033 258 S CB -0.870 62.319 63.200 -0.017 0.000 0.887 258 S HN 0.680 nan 8.310 nan 0.000 0.447 259 A N 1.850 124.663 122.820 -0.011 0.000 1.877 259 A HA -0.103 4.216 4.320 -0.002 0.000 0.216 259 A C 2.199 179.765 177.584 -0.030 0.000 1.186 259 A CA 1.301 53.320 52.037 -0.030 0.000 0.620 259 A CB -0.510 18.443 19.000 -0.078 0.000 0.822 259 A HN 0.369 nan 8.150 nan 0.000 0.443 260 R N -1.822 118.655 120.500 -0.038 0.000 2.081 260 R HA -0.167 4.172 4.340 -0.002 0.000 0.235 260 R C 2.219 178.528 176.300 0.015 0.000 1.131 260 R CA 1.683 57.761 56.100 -0.036 0.000 0.960 260 R CB -0.536 29.739 30.300 -0.042 0.000 0.856 260 R HN 0.817 nan 8.270 nan 0.000 0.436 261 H N -0.010 119.046 119.070 -0.023 0.000 2.319 261 H HA -0.104 4.451 4.556 -0.002 0.000 0.299 261 H C 1.825 177.151 175.328 -0.004 0.000 1.092 261 H CA 1.887 57.936 56.048 0.001 0.000 1.302 261 H CB -0.037 29.734 29.762 0.015 0.000 1.373 261 H HN -0.018 nan 8.280 nan 0.000 0.497 262 V N -0.185 119.757 119.914 0.046 0.000 3.052 262 V HA -0.052 4.067 4.120 -0.002 0.000 0.254 262 V C 2.057 178.128 176.094 -0.038 0.000 1.100 262 V CA 1.886 64.185 62.300 -0.002 0.000 1.112 262 V CB -0.196 31.666 31.823 0.066 0.000 0.738 262 V HN 0.867 nan 8.190 nan 0.000 0.469 263 T N -4.430 110.100 114.554 -0.041 0.000 3.018 263 T HA 0.268 4.617 4.350 -0.002 0.000 0.246 263 T C 1.705 176.362 174.700 -0.072 0.000 1.026 263 T CA 1.074 63.143 62.100 -0.051 0.000 1.081 263 T CB 0.543 69.382 68.868 -0.049 0.000 0.970 263 T HN 1.127 nan 8.240 nan 0.000 0.475 264 G N 2.250 111.001 108.800 -0.082 0.000 2.168 264 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.263 264 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.263 264 G C 0.074 174.911 174.900 -0.104 0.000 0.977 264 G CA 0.362 45.411 45.100 -0.085 0.000 0.659 264 G HN 0.655 nan 8.290 nan 0.000 0.533 265 K N 0.754 121.075 120.400 -0.131 0.000 2.154 265 K HA 0.434 4.753 4.320 -0.002 0.000 0.264 265 K C -2.342 174.094 176.600 -0.273 0.000 1.008 265 K CA -1.873 54.299 56.287 -0.192 0.000 0.937 265 K CB 0.709 33.091 32.500 -0.196 0.000 1.002 265 K HN 0.098 nan 8.250 nan 0.000 0.469 266 P HA 0.240 nan 4.420 nan 0.000 0.274 266 P C -0.329 176.575 177.300 -0.660 0.000 1.231 266 P CA -0.183 62.615 63.100 -0.502 0.000 0.790 266 P CB 0.393 31.705 31.700 -0.647 0.000 0.951 267 I N 2.867 123.110 120.570 -0.544 0.000 2.306 267 I HA 0.161 4.330 4.170 -0.002 0.000 0.288 267 I C 0.650 176.508 176.117 -0.432 0.000 1.036 267 I CA -0.305 60.620 61.300 -0.625 0.000 1.221 267 I CB 0.514 37.848 38.000 -1.111 0.000 1.385 267 I HN 0.364 nan 8.210 nan 0.000 0.472 268 Y N 5.364 125.474 120.300 -0.317 0.000 2.269 268 Y HA 0.173 4.722 4.550 -0.002 0.000 0.294 268 Y C 0.488 175.984 175.900 -0.673 0.000 1.120 268 Y CA 0.688 58.484 58.100 -0.506 0.000 1.159 268 Y CB -0.021 38.104 38.460 -0.558 0.000 1.024 268 Y HN 0.287 nan 8.280 nan 0.000 0.532 269 F N -1.509 118.496 119.950 0.092 0.000 2.603 269 F HA 0.702 5.229 4.527 -0.000 0.000 0.317 269 F C -0.254 175.578 175.800 0.054 0.000 1.066 269 F CA -1.902 56.117 58.000 0.032 0.000 0.941 269 F CB 1.274 40.262 39.000 -0.020 0.000 1.291 269 F HN -0.282 nan 8.300 nan 0.000 0.472 270 A N 0.606 123.601 122.820 0.291 0.000 2.342 270 A HA 0.763 5.082 4.320 -0.002 0.000 0.323 270 A C -0.302 177.363 177.584 0.135 0.000 1.125 270 A CA -0.544 51.621 52.037 0.213 0.000 0.785 270 A CB 0.856 19.993 19.000 0.228 0.000 1.221 270 A HN 0.952 nan 8.150 nan 0.000 0.463 271 G N 0.110 108.966 108.800 0.093 0.000 2.322 271 G HA2 0.520 4.479 3.960 -0.002 0.000 0.309 271 G HA3 0.520 4.479 3.960 -0.002 0.000 0.309 271 G C 0.228 175.161 174.900 0.054 0.000 1.121 271 G CA 0.221 45.353 45.100 0.053 0.000 0.886 271 G HN 1.694 nan 8.290 nan 0.000 0.447 272 V N -0.338 119.603 119.914 0.045 0.000 3.276 272 V HA 0.616 4.734 4.120 -0.002 0.000 0.319 272 V C 0.327 176.442 176.094 0.034 0.000 1.476 272 V CA 0.440 62.767 62.300 0.046 0.000 1.097 272 V CB -0.833 31.026 31.823 0.058 0.000 0.988 272 V HN 1.190 nan 8.190 nan 0.000 0.473 273 S N -1.159 114.556 115.700 0.026 0.000 2.656 273 S HA 0.382 4.851 4.470 -0.002 0.000 0.265 273 S C -0.063 174.545 174.600 0.014 0.000 1.132 273 S CA -0.054 58.158 58.200 0.020 0.000 0.819 273 S CB 1.206 64.418 63.200 0.020 0.000 1.119 273 S HN 0.155 nan 8.310 nan 0.000 0.476 274 E N 0.265 120.472 120.200 0.012 0.000 2.478 274 E HA 0.140 4.489 4.350 -0.002 0.000 0.194 274 E C -0.078 176.526 176.600 0.007 0.000 1.045 274 E CA 0.330 56.735 56.400 0.009 0.000 0.868 274 E CB 0.104 29.809 29.700 0.008 0.000 0.885 274 E HN 0.368 nan 8.360 nan 0.000 0.505 275 K N 0.647 121.052 120.400 0.008 0.000 2.098 275 K HA 0.160 4.479 4.320 -0.002 0.000 0.258 275 K C -1.998 174.606 176.600 0.006 0.000 0.973 275 K CA -1.970 54.321 56.287 0.007 0.000 0.898 275 K CB 1.100 33.605 32.500 0.009 0.000 1.057 275 K HN -0.287 nan 8.250 nan 0.000 0.447 276 P HA -0.152 nan 4.420 nan 0.000 0.221 276 P C 0.047 177.351 177.300 0.007 0.000 1.145 276 P CA 1.191 64.293 63.100 0.003 0.000 0.795 276 P CB 0.301 32.004 31.700 0.005 0.000 0.775 277 E N -0.886 119.322 120.200 0.013 0.000 2.358 277 E HA 0.037 4.386 4.350 -0.002 0.000 0.195 277 E C 1.671 178.284 176.600 0.022 0.000 1.010 277 E CA 0.556 56.969 56.400 0.022 0.000 0.856 277 E CB -1.020 28.694 29.700 0.023 0.000 0.795 277 E HN 0.134 nan 8.360 nan 0.000 0.504 278 G N 1.032 109.841 108.800 0.014 0.000 3.263 278 G HA2 0.256 4.215 3.960 -0.002 0.000 0.246 278 G HA3 0.256 4.215 3.960 -0.002 0.000 0.246 278 G C -0.548 174.359 174.900 0.010 0.000 0.982 278 G CA -0.087 45.023 45.100 0.018 0.000 1.897 278 G HN 0.028 nan 8.290 nan 0.000 0.624 279 L N -0.647 120.577 121.223 0.003 0.000 2.408 279 L HA 0.680 5.018 4.340 -0.002 0.000 0.268 279 L C -0.843 176.035 176.870 0.014 0.000 0.986 279 L CA -0.667 54.153 54.840 -0.035 0.000 0.820 279 L CB 2.335 44.288 42.059 -0.176 0.000 1.303 279 L HN 0.216 nan 8.230 nan 0.000 0.411 280 E N 4.885 125.127 120.200 0.071 0.000 2.356 280 E HA 0.463 4.812 4.350 -0.002 0.000 0.275 280 E C -2.652 174.023 176.600 0.127 0.000 0.904 280 E CA -2.052 54.410 56.400 0.103 0.000 0.757 280 E CB 2.131 31.901 29.700 0.117 0.000 1.232 280 E HN 0.357 nan 8.360 nan 0.000 0.442 281 P HA -0.074 nan 4.420 nan 0.000 0.267 281 P C -0.729 176.278 177.300 -0.489 0.000 1.200 281 P CA 0.142 63.075 63.100 -0.278 0.000 0.772 281 P CB 0.317 31.781 31.700 -0.392 0.000 0.855 282 F N 3.397 123.055 119.950 -0.487 0.000 2.427 282 F HA 0.288 4.813 4.527 -0.002 0.000 0.352 282 F C -0.546 174.965 175.800 -0.482 0.000 1.100 282 F CA -0.203 57.575 58.000 -0.370 0.000 1.191 282 F CB 0.264 39.145 39.000 -0.197 0.000 1.128 282 F HN 0.176 nan 8.300 nan 0.000 0.533 283 Y N 7.797 127.613 120.300 -0.807 0.000 2.388 283 Y HA 0.333 4.881 4.550 -0.002 0.000 0.328 283 Y C -1.780 173.609 175.900 -0.851 0.000 0.963 283 Y CA -2.413 55.338 58.100 -0.582 0.000 1.240 283 Y CB 0.798 39.075 38.460 -0.304 0.000 1.118 283 Y HN 0.491 nan 8.280 nan 0.000 0.484 284 P HA -0.306 nan 4.420 nan 0.000 0.215 284 P C 1.665 178.919 177.300 -0.076 0.000 1.163 284 P CA 1.986 65.009 63.100 -0.128 0.000 0.894 284 P CB 0.382 32.144 31.700 0.103 0.000 0.791 285 E N 0.109 120.294 120.200 -0.025 0.000 2.097 285 E HA -0.295 4.053 4.350 -0.002 0.000 0.196 285 E C 2.222 178.814 176.600 -0.013 0.000 1.000 285 E CA 1.437 57.841 56.400 0.007 0.000 0.804 285 E CB -0.381 29.315 29.700 -0.005 0.000 0.740 285 E HN 0.071 nan 8.360 nan 0.000 0.454 286 R N -0.157 120.301 120.500 -0.069 0.000 2.115 286 R HA -0.107 4.232 4.340 -0.002 0.000 0.230 286 R C 2.567 178.843 176.300 -0.039 0.000 1.111 286 R CA 1.155 57.219 56.100 -0.060 0.000 0.976 286 R CB -0.143 30.123 30.300 -0.057 0.000 0.870 286 R HN 0.272 nan 8.270 nan 0.000 0.445 287 L N -0.204 120.971 121.223 -0.079 0.000 2.270 287 L HA 0.188 4.527 4.340 -0.002 0.000 0.210 287 L C 2.060 178.953 176.870 0.038 0.000 1.104 287 L CA 1.372 56.220 54.840 0.013 0.000 0.804 287 L CB -0.156 41.977 42.059 0.123 0.000 0.937 287 L HN 0.164 nan 8.230 nan 0.000 0.450 288 A N -0.282 122.563 122.820 0.041 0.000 1.883 288 A HA -0.138 4.181 4.320 -0.002 0.000 0.217 288 A C 2.312 179.933 177.584 0.061 0.000 1.186 288 A CA 1.736 53.802 52.037 0.047 0.000 0.624 288 A CB -1.581 17.482 19.000 0.105 0.000 0.822 288 A HN 0.483 nan 8.150 nan 0.000 0.444 289 G N -1.022 107.856 108.800 0.130 0.000 2.422 289 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.218 289 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.218 289 G C 1.749 176.699 174.900 0.083 0.000 1.146 289 G CA 0.996 46.206 45.100 0.183 0.000 0.769 289 G HN 0.543 nan 8.290 nan 0.000 0.547 290 R N -0.069 120.459 120.500 0.046 0.000 2.073 290 R HA 0.033 4.371 4.340 -0.002 0.000 0.234 290 R C 2.587 178.890 176.300 0.005 0.000 1.134 290 R CA 1.188 57.305 56.100 0.027 0.000 0.952 290 R CB -0.335 29.983 30.300 0.031 0.000 0.850 290 R HN 0.410 nan 8.270 nan 0.000 0.433 291 I N 0.807 121.369 120.570 -0.013 0.000 2.286 291 I HA -0.297 3.872 4.170 -0.002 0.000 0.248 291 I C 1.950 178.023 176.117 -0.072 0.000 1.115 291 I CA 1.226 62.496 61.300 -0.050 0.000 1.392 291 I CB -0.046 37.903 38.000 -0.085 0.000 1.065 291 I HN 0.234 nan 8.210 nan 0.000 0.418 292 L N -0.102 121.069 121.223 -0.086 0.000 2.418 292 L HA 0.129 4.468 4.340 -0.002 0.000 0.218 292 L C 1.427 178.266 176.870 -0.053 0.000 1.125 292 L CA -0.111 54.657 54.840 -0.121 0.000 0.835 292 L CB -0.613 41.283 42.059 -0.272 0.000 0.953 292 L HN 0.212 nan 8.230 nan 0.000 0.454 293 G N 0.000 108.795 108.800 -0.008 0.000 5.446 293 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 293 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 293 G CA 0.000 45.109 45.100 0.015 0.000 0.502 293 G HN 0.000 nan 8.290 nan 0.000 0.925